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Merge commit 'a71e9dca90ec11a4f8c46c8b1af4f9ebed20ea32'
This commit is contained in:
Darth Vader
commit
dd0206a749
@ -13,7 +13,7 @@ Reading data base.
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EXCHANGE_SPECIES
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SURFACE_MASTER_SPECIES
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SURFACE_SPECIES
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CALCULATE_VALUES
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MEAN_GAMMAS
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RATES
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END
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------------------------------------
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@ -121,21 +121,21 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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pH = 8.220
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pe = 8.451
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Specific Conductance (µS/cm, 25°C) = 52855
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Specific Conductance (µS/cm, 25°C) = 52856
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Density (g/cm³) = 1.02328
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Volume (L) = 1.01278
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Viscosity (mPa s) = 0.96027
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Viscosity (mPa s) = 0.96029
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Activity of water = 0.981
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Ionic strength (mol/kgw) = 6.704e-01
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Mass of water (kg) = 1.000e+00
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Total carbon (mol/kg) = 2.240e-03
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Total CO2 (mol/kg) = 2.240e-03
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Total carbon (mol/kg) = 2.238e-03
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Total CO2 (mol/kg) = 2.238e-03
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Temperature (°C) = 25.00
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Electrical balance (eq) = 7.936e-04
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
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Iterations = 7
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Total H = 1.110148e+02
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Total O = 5.563072e+01
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Total O = 5.563071e+01
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---------------------------------Redox couples---------------------------------
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@ -149,50 +149,50 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64
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OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
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H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
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H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
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C(4) 2.240e-03
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HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99
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MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82
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NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73
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MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09
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CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96
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CO3-2 3.835e-05 7.992e-06 -4.416 -5.097 -0.681 -0.52
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CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60
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CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43
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KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03
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UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0)
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UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0)
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MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0)
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MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0)
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UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0)
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(CO2)2 3.166e-12 3.694e-12 -11.500 -11.432 0.067 68.87
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FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0)
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FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0)
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C(4) 2.238e-03
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HCO3- 1.541e-03 1.041e-03 -2.812 -2.983 -0.170 25.99
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MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
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NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
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MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
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CO3-2 3.888e-05 8.103e-06 -4.410 -5.091 -0.681 -0.52
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CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
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CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
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CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
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KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
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UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
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UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
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MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
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MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
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UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
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(CO2)2 3.254e-12 3.797e-12 -11.488 -11.421 0.067 68.87
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FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
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FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
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Ca 1.066e-02
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Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70
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CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50
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CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96
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CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60
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CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0)
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CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0)
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Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
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CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
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CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
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CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
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CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
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CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
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Cl 5.657e-01
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Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
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MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79
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MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
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HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
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MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89
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MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78
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MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
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MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
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FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
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FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
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FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
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FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
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Fe(2) 6.337e-19
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Fe+2 4.878e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72
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Fe(2) 6.342e-19
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Fe+2 4.879e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72
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FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
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FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97
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FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0)
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FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0)
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FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
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FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
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FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
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FeOH+ 8.686e-21 5.764e-21 -20.061 -20.239 -0.178 (0)
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Fe(OH)2 6.842e-24 7.984e-24 -23.165 -23.098 0.067 (0)
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Fe(OH)3- 7.275e-26 4.828e-26 -25.138 -25.316 -0.178 (0)
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@ -205,7 +205,7 @@ Fe(3) 3.711e-08
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FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
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FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
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FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
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Fe+3 3.420e-19 2.725e-20 -18.466 -19.565 -1.099 (0)
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Fe+3 3.421e-19 2.725e-20 -18.466 -19.565 -1.099 (0)
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Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
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FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
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Fe2(OH)2+4 2.378e-24 2.207e-26 -23.624 -25.656 -2.032 (0)
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@ -215,55 +215,55 @@ H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.469 -44.402 0.067 28.61
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K 1.058e-02
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K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
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KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35
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KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03
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KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
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KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
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Mg 5.507e-02
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Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
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MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92
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MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82
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Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91
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MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09
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Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
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MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
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MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
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Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
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MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
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MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
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Mn(2) 3.773e-09
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Mn+2 2.127e-09 4.883e-10 -8.672 -9.311 -0.639 -16.37
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MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79
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MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0)
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MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54
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MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89
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MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0)
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MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78
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MnOH+ 3.078e-12 2.043e-12 -11.512 -11.690 -0.178 (0)
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Mn(OH)3- 5.027e-20 3.336e-20 -19.299 -19.477 -0.178 (0)
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Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04
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Mn(3) 5.351e-26
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Mn+3 5.351e-26 4.263e-27 -25.272 -26.370 -1.099 (0)
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Mn+2 2.125e-09 4.877e-10 -8.673 -9.312 -0.639 -16.37
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MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
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MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
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MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
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MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
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MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
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MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
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MnOH+ 3.075e-12 2.040e-12 -11.512 -11.690 -0.178 (0)
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Mn(OH)3- 5.021e-20 3.332e-20 -19.299 -19.477 -0.178 (0)
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Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
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Mn(3) 5.345e-26
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Mn+3 5.345e-26 4.258e-27 -25.272 -26.371 -1.099 (0)
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N(-3) 1.724e-06
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NH4+ 1.618e-06 9.103e-07 -5.791 -6.041 -0.250 18.48
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NH3 7.378e-08 8.610e-08 -7.132 -7.065 0.067 24.42
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NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66
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N(5) 4.847e-06
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NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29
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Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04
|
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Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
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Na 4.854e-01
|
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Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
|
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NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22
|
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NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
|
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O(0) 4.381e-04
|
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O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40
|
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S(6) 2.926e-02
|
||||
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41
|
||||
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50
|
||||
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35
|
||||
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66
|
||||
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
|
||||
MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54
|
||||
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0)
|
||||
MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
|
||||
FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97
|
||||
FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
|
||||
Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
|
||||
FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0)
|
||||
FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0)
|
||||
@ -271,37 +271,37 @@ Si 7.382e-05
|
||||
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
|
||||
U(4) 1.010e-21
|
||||
U(OH)5- 1.009e-21 7.535e-22 -20.996 -21.123 -0.127 (0)
|
||||
U(OH)4 1.613e-25 1.882e-25 -24.792 -24.725 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -47.001 -49.033 -2.032 (0)
|
||||
U(5) 1.582e-18
|
||||
UO2+ 1.582e-18 1.181e-18 -17.801 -17.928 -0.127 (0)
|
||||
U(4) 9.706e-22
|
||||
U(OH)5- 9.704e-22 7.243e-22 -21.013 -21.140 -0.127 (0)
|
||||
U(OH)4 1.550e-25 1.809e-25 -24.810 -24.743 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -47.018 -49.051 -2.032 (0)
|
||||
U(5) 1.521e-18
|
||||
UO2+ 1.521e-18 1.135e-18 -17.818 -17.945 -0.127 (0)
|
||||
U(6) 1.437e-08
|
||||
UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0)
|
||||
UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0)
|
||||
UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0)
|
||||
UO2OH+ 3.300e-14 2.463e-14 -13.481 -13.609 -0.127 (0)
|
||||
UO2+2 2.952e-16 9.161e-17 -15.530 -16.038 -0.508 (0)
|
||||
(UO2)2(OH)2+2 1.695e-21 5.259e-22 -20.771 -21.279 -0.508 (0)
|
||||
(UO2)3(OH)5+ 2.688e-23 2.006e-23 -22.571 -22.698 -0.127 (0)
|
||||
UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
|
||||
UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
|
||||
UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
|
||||
UO2OH+ 3.172e-14 2.368e-14 -13.499 -13.626 -0.127 (0)
|
||||
UO2+2 2.837e-16 8.807e-17 -15.547 -16.055 -0.508 (0)
|
||||
(UO2)2(OH)2+2 1.566e-21 4.860e-22 -20.805 -21.313 -0.508 (0)
|
||||
(UO2)3(OH)5+ 2.388e-23 1.782e-23 -22.622 -22.749 -0.127 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.09 -5.37 -4.28 CaSO4
|
||||
Aragonite 0.63 -7.70 -8.34 CaCO3
|
||||
Aragonite 0.64 -7.69 -8.34 CaCO3
|
||||
Arcanite -5.26 -7.14 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Calcite 0.79 -7.69 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.38 -4.85 -1.47 CO2
|
||||
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2
|
||||
Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.84 -1.47 CO2
|
||||
Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
|
||||
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
|
||||
Goethite 6.08 5.08 -1.00 FeOOH
|
||||
Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O
|
||||
Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.49 -0.92 1.57 NaCl
|
||||
@ -316,17 +316,17 @@ U(6) 1.437e-08
|
||||
NH3(g) -8.86 -7.07 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Pyrochroite -8.09 7.11 15.20 Mn(OH)2
|
||||
Pyrolusite 6.98 48.36 41.38 MnO2:H2O
|
||||
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Rhodochrosite -3.28 -14.41 -11.13 MnCO3
|
||||
Rhodochrosite -3.27 -14.40 -11.13 MnCO3
|
||||
Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.16 -24.05 -10.89 FeCO3
|
||||
Siderite -13.15 -24.04 -10.89 FeCO3
|
||||
SiO2(a) -1.36 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -3.41 -3.71 -0.30 Na2SO4
|
||||
Uraninite -12.68 -16.17 -3.49 UO2
|
||||
Uraninite -12.70 -16.19 -3.49 UO2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
@ -88,21 +88,21 @@ Initial solution 1. Brine
|
||||
|
||||
pH = 5.713
|
||||
pe = 14.962 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 243034
|
||||
Density (g/cm³) = 1.21640
|
||||
Volume (L) = 1.13690
|
||||
Viscosity (mPa s) = 1.95436
|
||||
Specific Conductance (µS/cm, 25°C) = 243000
|
||||
Density (g/cm³) = 1.21629
|
||||
Volume (L) = 1.13700
|
||||
Viscosity (mPa s) = 1.95441
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.269e+00
|
||||
Ionic strength (mol/kgw) = 7.270e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.726e-03
|
||||
Total alkalinity (eq/kg) = 3.608e-03
|
||||
Total CO2 (mol/kg) = 3.960e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -2.013e-15
|
||||
Electrical balance (eq) = -3.249e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 11
|
||||
Total H = 1.110162e+02
|
||||
Total O = 5.553686e+01
|
||||
Iterations = 14
|
||||
Total H = 1.110160e+02
|
||||
Total O = 5.553674e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
@ -114,79 +114,79 @@ Initial solution 1. Brine
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.668e-12 4.622e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.511e-12 7.778e-09 -11.070 -8.109 2.961 (0)
|
||||
AsO4-3 2.766e-21 1.270e-14 -20.558 -13.896 6.662 (0)
|
||||
H3AsO4 8.669e-12 4.623e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.507e-12 7.779e-09 -11.070 -8.109 2.961 (0)
|
||||
AsO4-3 2.763e-21 1.270e-14 -20.559 -13.896 6.663 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.675 -143.948 0.727 35.46
|
||||
CH4 0.000e+00 0.000e+00 -144.496 -143.769 0.727 35.46
|
||||
C(4) 3.960e-03
|
||||
CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08
|
||||
MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01
|
||||
CO2 2.334e-04 7.045e-04 -3.632 -3.152 0.480 34.43
|
||||
HCO3- 2.195e-04 1.270e-04 -3.659 -3.896 -0.238 37.32
|
||||
NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73
|
||||
CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60
|
||||
MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09
|
||||
CO3-2 2.748e-08 3.075e-09 -7.561 -8.512 -0.951 10.19
|
||||
(CO2)2 1.709e-09 9.111e-09 -8.767 -8.040 0.727 68.87
|
||||
MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
|
||||
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
|
||||
CO2 3.518e-04 1.062e-03 -3.454 -2.974 0.480 34.43
|
||||
HCO3- 3.309e-04 1.914e-04 -3.480 -3.718 -0.238 37.32
|
||||
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
|
||||
CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
|
||||
MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
CO3-2 4.143e-08 4.635e-09 -7.383 -8.334 -0.951 10.19
|
||||
(CO2)2 3.882e-09 2.070e-08 -8.411 -7.684 0.727 68.87
|
||||
Ca 4.655e-01
|
||||
Ca+2 4.633e-01 7.112e-01 -0.334 -0.148 0.186 -13.79
|
||||
CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08
|
||||
CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50
|
||||
CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60
|
||||
CaOH+ 8.698e-09 4.782e-08 -8.061 -7.320 0.740 (0)
|
||||
CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0)
|
||||
Ca+2 4.643e-01 7.129e-01 -0.333 -0.147 0.186 -13.79
|
||||
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
|
||||
CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
|
||||
CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
|
||||
CaOH+ 8.717e-09 4.794e-08 -8.060 -7.319 0.740 (0)
|
||||
CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 2.239e-09 2.778e-06 -8.650 -5.556 3.094 (0)
|
||||
HCl 2.238e-09 2.778e-06 -8.650 -5.556 3.094 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.609e-01
|
||||
Mg+2 1.593e-01 5.238e-01 -0.798 -0.281 0.517 -17.22
|
||||
MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01
|
||||
MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92
|
||||
MgOH+ 1.231e-06 7.705e-07 -5.910 -6.113 -0.204 (0)
|
||||
MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09
|
||||
Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97
|
||||
Mg+2 1.585e-01 5.213e-01 -0.800 -0.283 0.517 -17.22
|
||||
MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
|
||||
MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
|
||||
MgOH+ 1.225e-06 7.669e-07 -5.912 -6.115 -0.204 (0)
|
||||
MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
|
||||
Na 5.402e+00
|
||||
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73
|
||||
NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
|
||||
NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0)
|
||||
O(0) 9.587e-05
|
||||
O(0) 9.585e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -141.404 -140.677 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.570 -141.905 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -283.358 -282.631 0.727 30.09
|
||||
(H2S)2 0.000e+00 0.000e+00 -283.359 -282.632 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50
|
||||
SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
|
||||
MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92
|
||||
Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97
|
||||
CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0)
|
||||
HSO4- 4.649e-10 2.556e-09 -9.333 -8.592 0.740 42.16
|
||||
NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
|
||||
SO4-2 2.734e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
|
||||
MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
|
||||
Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
|
||||
CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
|
||||
HSO4- 4.648e-10 2.556e-09 -9.333 -8.592 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.74 -5.02 -4.28 CaSO4
|
||||
Aragonite -0.32 -8.66 -8.34 CaCO3
|
||||
Calcite -0.18 -8.66 -8.48 CaCO3
|
||||
CH4(g) -141.15 -143.95 -2.80 CH4
|
||||
CO2(g) -1.68 -3.15 -1.47 CO2
|
||||
Dolomite -0.37 -17.45 -17.08 CaMg(CO3)2
|
||||
Anhydrite -0.74 -5.01 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.97 -143.77 -2.80 CH4
|
||||
CO2(g) -1.51 -2.97 -1.47 CO2
|
||||
Dolomite -0.01 -17.10 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.15 -5.89 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.64 -5.23 -4.58 CaSO4:2H2O
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.68 -147.62 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.21 -5.78 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.25 -1.16 MgSO4:H2O
|
||||
Hexahydrite -4.22 -5.78 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.26 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Sulfur -104.21 -99.33 4.88 S
|
||||
@ -230,105 +230,105 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.049e-01 4.857e-03
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.598e+00 -2.464e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.065e-01 6.536e-03
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 2.500e-08 2.500e-08
|
||||
C 4.032e-03 4.032e-03
|
||||
Ca 4.631e-01 4.631e-01
|
||||
C 3.968e-03 3.968e-03
|
||||
Ca 4.622e-01 4.622e-01
|
||||
Cl 6.642e+00 6.642e+00
|
||||
Mg 1.634e-01 1.634e-01
|
||||
Mg 1.642e-01 1.642e-01
|
||||
Na 5.402e+00 5.402e+00
|
||||
S 4.725e-03 4.725e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.881 Charge balance
|
||||
pe = 14.794 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 242989
|
||||
Density (g/cm³) = 1.21638
|
||||
Volume (L) = 1.13689
|
||||
Viscosity (mPa s) = 1.95471
|
||||
pH = 5.720 Charge balance
|
||||
pe = 14.955 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 242937
|
||||
Density (g/cm³) = 1.21626
|
||||
Volume (L) = 1.13699
|
||||
Viscosity (mPa s) = 1.95490
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.269e+00
|
||||
Ionic strength (mol/kgw) = 7.270e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.869e-03
|
||||
Total CO2 (mol/kg) = 4.032e-03
|
||||
Total alkalinity (eq/kg) = 3.625e-03
|
||||
Total CO2 (mol/kg) = 3.968e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 8.401e-13
|
||||
Electrical balance (eq) = 3.117e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110162e+02
|
||||
Total O = 5.553708e+01
|
||||
Iterations = 2
|
||||
Total H = 1.110160e+02
|
||||
Total O = 5.553677e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.872e-06 1.315e-06 -5.728 -5.881 -0.153 0.00
|
||||
OH- 1.307e-08 6.038e-09 -7.884 -8.219 -0.335 6.33
|
||||
H+ 2.712e-06 1.905e-06 -5.567 -5.720 -0.153 0.00
|
||||
OH- 9.023e-09 4.168e-09 -8.045 -8.380 -0.335 6.33
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 1.253e-11 1.145e-08 -10.902 -7.941 2.961 (0)
|
||||
H3AsO4 5.887e-12 3.139e-11 -11.230 -10.503 0.727 (0)
|
||||
AsO4-3 5.997e-21 2.753e-14 -20.222 -13.560 6.662 (0)
|
||||
HAsO4-2 8.646e-12 7.906e-09 -11.063 -8.102 2.961 (0)
|
||||
H3AsO4 8.529e-12 4.549e-11 -11.069 -10.342 0.727 (0)
|
||||
AsO4-3 2.854e-21 1.312e-14 -20.545 -13.882 6.663 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.828 -144.101 0.727 35.46
|
||||
C(4) 4.032e-03
|
||||
CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08
|
||||
MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01
|
||||
HCO3- 2.270e-04 1.313e-04 -3.644 -3.882 -0.238 37.31
|
||||
CO2 1.639e-04 4.948e-04 -3.785 -3.306 0.480 34.43
|
||||
NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73
|
||||
CH4 0.000e+00 0.000e+00 -144.506 -143.780 0.727 35.46
|
||||
C(4) 3.968e-03
|
||||
MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
|
||||
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
|
||||
CO2 3.437e-04 1.038e-03 -3.464 -2.984 0.480 34.43
|
||||
HCO3- 3.286e-04 1.901e-04 -3.483 -3.721 -0.238 37.32
|
||||
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
CO3-2 4.184e-08 4.681e-09 -7.378 -8.330 -0.951 10.19
|
||||
(CO2)2 8.427e-10 4.494e-09 -9.074 -8.347 0.727 68.87
|
||||
Ca 4.631e-01
|
||||
Ca+2 4.608e-01 7.074e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08
|
||||
CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50
|
||||
CO3-2 4.181e-08 4.678e-09 -7.379 -8.330 -0.951 10.19
|
||||
(CO2)2 3.706e-09 1.976e-08 -8.431 -7.704 0.727 68.87
|
||||
Ca 4.622e-01
|
||||
Ca+2 4.611e-01 7.079e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
|
||||
CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
CaOH+ 1.274e-08 7.004e-08 -7.895 -7.155 0.740 (0)
|
||||
CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0)
|
||||
CaOH+ 8.798e-09 4.838e-08 -8.056 -7.315 0.740 (0)
|
||||
CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 1.521e-09 1.887e-06 -8.818 -5.724 3.094 (0)
|
||||
HCl 2.202e-09 2.734e-06 -8.657 -5.563 3.094 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.634e-01
|
||||
Mg+2 1.617e-01 5.316e-01 -0.791 -0.274 0.517 -17.22
|
||||
MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01
|
||||
MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92
|
||||
MgOH+ 1.840e-06 1.151e-06 -5.735 -5.939 -0.204 (0)
|
||||
Mg 1.642e-01
|
||||
Mg+2 1.617e-01 5.320e-01 -0.791 -0.274 0.517 -17.22
|
||||
MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
|
||||
MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
|
||||
MgOH+ 1.271e-06 7.954e-07 -5.896 -6.099 -0.204 (0)
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97
|
||||
Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
|
||||
Na 5.402e+00
|
||||
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73
|
||||
NaOH 1.214e-18 6.474e-18 -17.916 -17.189 0.727 (0)
|
||||
O(0) 9.587e-05
|
||||
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
|
||||
NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0)
|
||||
O(0) 9.585e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -141.738 -142.073 -0.335 23.12
|
||||
H2S 0.000e+00 0.000e+00 -141.739 -141.013 0.727 36.27
|
||||
H2S 0.000e+00 0.000e+00 -141.418 -140.691 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.577 -141.912 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -284.030 -283.303 0.727 30.09
|
||||
(H2S)2 0.000e+00 0.000e+00 -283.387 -282.660 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50
|
||||
CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
|
||||
SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
|
||||
MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92
|
||||
Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97
|
||||
CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0)
|
||||
HSO4- 3.158e-10 1.737e-09 -9.501 -8.760 0.740 42.16
|
||||
MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
|
||||
Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
|
||||
CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
|
||||
HSO4- 4.574e-10 2.515e-09 -9.340 -8.599 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -337,20 +337,20 @@ S(6) 4.725e-03
|
||||
Anhydrite -0.74 -5.02 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -141.30 -144.10 -2.80 CH4
|
||||
CO2(g) -1.84 -3.31 -1.47 CO2
|
||||
CH4(g) -140.98 -143.78 -2.80 CH4
|
||||
CO2(g) -1.52 -2.98 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.14 -5.88 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.65 -5.23 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -140.02 -147.95 -7.94 H2S
|
||||
H2S(g) -139.70 -147.63 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.21 -5.77 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.25 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -104.55 -99.66 4.88 S
|
||||
Sulfur -104.22 -99.34 4.88 S
|
||||
Thenardite -2.51 -2.81 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
@ -385,8 +385,8 @@ X 1.000e+00 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
NaX 9.010e-01 9.010e-01 9.010e-01 0.298
|
||||
CaX2 4.051e-02 8.102e-02 8.102e-02 0.186
|
||||
MgX2 8.966e-03 1.793e-02 1.793e-02 0.517
|
||||
CaX2 4.053e-02 8.105e-02 8.105e-02 0.186
|
||||
MgX2 8.970e-03 1.794e-02 1.794e-02 0.517
|
||||
|
||||
------------------------------------------------------
|
||||
Beginning of initial surface-composition calculations.
|
||||
@ -397,11 +397,11 @@ Surface 1.
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
5.172e-02 Surface charge, eq
|
||||
2.772e-01 sigma, C/m²
|
||||
4.066e-02 psi, V
|
||||
-1.583e+00 -F*psi/RT
|
||||
2.054e-01 exp(-F*psi/RT)
|
||||
5.630e-02 Surface charge, eq
|
||||
3.018e-01 sigma, C/m²
|
||||
4.360e-02 psi, V
|
||||
-1.697e+00 -F*psi/RT
|
||||
1.832e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
|
||||
@ -411,12 +411,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH2+ 5.669e-02 0.810 5.669e-02 -1.246
|
||||
SurfOH 1.076e-02 0.154 1.076e-02 -1.968
|
||||
SurfOHAsO4-3 1.299e-03 0.019 1.299e-03 -2.886
|
||||
SurfHAsO4- 1.029e-03 0.015 1.029e-03 -2.988
|
||||
SurfH2AsO4 1.754e-04 0.003 1.754e-04 -3.756
|
||||
SurfO- 4.679e-05 0.001 4.679e-05 -4.330
|
||||
SurfOH2+ 5.939e-02 0.848 5.939e-02 -1.226
|
||||
SurfOH 8.727e-03 0.125 8.727e-03 -2.059
|
||||
SurfHAsO4- 9.359e-04 0.013 9.359e-04 -3.029
|
||||
SurfOHAsO4-3 7.082e-04 0.010 7.082e-04 -3.150
|
||||
SurfH2AsO4 2.061e-04 0.003 2.061e-04 -3.686
|
||||
SurfO- 2.938e-05 0.000 2.938e-05 -4.532
|
||||
|
||||
------------------
|
||||
End of simulation.
|
||||
@ -474,7 +474,7 @@ Initial solution 0. 20 x precipitation
|
||||
Total alkalinity (eq/kg) = -2.630e-05
|
||||
Total CO2 (mol/kg) = 1.096e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.480e-16
|
||||
Electrical balance (eq) = 1.978e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -493,7 +493,7 @@ C(-4) 0.000e+00
|
||||
C(4) 1.096e-05
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
|
||||
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.58
|
||||
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
|
||||
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
|
||||
MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
|
||||
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
|
||||
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
|
||||
@ -504,7 +504,7 @@ Ca 1.916e-04
|
||||
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
|
||||
CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50
|
||||
CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0)
|
||||
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
|
||||
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
|
||||
CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0)
|
||||
CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
Cl 1.337e-04
|
||||
@ -580,100 +580,100 @@ Using pure phase assemblage 0.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.073e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.968e-02 -3.160e-04
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.366e-03
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.032e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.974e-02 -2.569e-04
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 7.133e-03 7.132e-03
|
||||
Ca 1.874e-03 1.874e-03
|
||||
C 7.051e-03 7.051e-03
|
||||
Ca 1.824e-03 1.824e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.402e-03 1.402e-03
|
||||
Mg 1.411e-03 1.411e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.048 Charge balance
|
||||
pe = 13.574 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 604
|
||||
Density (g/cm³) = 0.99747
|
||||
pH = 7.047 Charge balance
|
||||
pe = 13.576 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 603
|
||||
Density (g/cm³) = 0.99746
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89401
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.649e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.070e-03
|
||||
Total CO2 (mol/kg) = 7.133e-03
|
||||
Total alkalinity (eq/kg) = 5.989e-03
|
||||
Total CO2 (mol/kg) = 7.051e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.082e-15
|
||||
Electrical balance (eq) = 2.051e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552498e+01
|
||||
Total O = 5.552478e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.254e-07 1.130e-07 -6.902 -6.947 -0.045 -4.04
|
||||
H+ 9.790e-08 8.953e-08 -7.009 -7.048 -0.039 0.00
|
||||
OH- 1.250e-07 1.126e-07 -6.903 -6.948 -0.045 -4.04
|
||||
H+ 9.823e-08 8.983e-08 -7.008 -7.047 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.133e-03
|
||||
HCO3- 5.895e-03 5.344e-03 -2.230 -2.272 -0.043 24.65
|
||||
C(4) 7.051e-03
|
||||
HCO3- 5.875e-03 5.326e-03 -2.231 -2.274 -0.043 24.65
|
||||
CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72
|
||||
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
|
||||
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 4.146e-06 2.799e-06 -5.382 -5.553 -0.171 -3.67
|
||||
CO3-2 4.119e-06 2.780e-06 -5.385 -5.556 -0.171 -3.67
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73
|
||||
NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
|
||||
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
|
||||
Ca 1.874e-03
|
||||
Ca+2 1.754e-03 1.183e-03 -2.756 -2.927 -0.171 -17.93
|
||||
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72
|
||||
CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50
|
||||
Ca 1.824e-03
|
||||
Ca+2 1.766e-03 1.191e-03 -2.753 -2.924 -0.171 -17.93
|
||||
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
|
||||
CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.427e-09 2.193e-09 -8.615 -8.659 -0.044 (0)
|
||||
CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0)
|
||||
CaOH+ 2.435e-09 2.200e-09 -8.613 -8.658 -0.044 (0)
|
||||
CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
HCl 3.686e-12 3.721e-12 -11.433 -11.429 0.004 (0)
|
||||
HCl 3.698e-12 3.733e-12 -11.432 -11.428 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.402e-03
|
||||
Mg+2 1.310e-03 8.891e-04 -2.883 -3.051 -0.168 -21.62
|
||||
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92
|
||||
Mg 1.411e-03
|
||||
Mg+2 1.319e-03 8.951e-04 -2.880 -3.048 -0.168 -21.62
|
||||
MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
|
||||
MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
MgOH+ 3.965e-08 3.605e-08 -7.402 -7.443 -0.041 (0)
|
||||
Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69
|
||||
MgOH+ 3.979e-08 3.617e-08 -7.400 -7.442 -0.041 (0)
|
||||
Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
|
||||
Na 1.227e-04
|
||||
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73
|
||||
NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24
|
||||
NaOH 1.244e-21 1.247e-21 -20.905 -20.904 0.001 (0)
|
||||
NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
NaOH 1.240e-21 1.243e-21 -20.907 -20.906 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.245 -142.290 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.987 -148.160 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.072 -286.071 0.001 30.09
|
||||
HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.395 -142.394 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.067 -286.066 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.811e-04 1.216e-04 -3.742 -3.915 -0.173 17.83
|
||||
MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92
|
||||
CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50
|
||||
NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69
|
||||
HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0)
|
||||
SO4-2 1.808e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
|
||||
MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
|
||||
CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
|
||||
NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
|
||||
HSO4- 1.174e-09 1.060e-09 -8.930 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -685,14 +685,14 @@ S(6) 2.351e-04
|
||||
CH4(g) -140.75 -143.56 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -5.23 -6.97 -1.74 MgSO4:7H2O
|
||||
Epsomite -5.23 -6.96 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Hexahydrite -5.40 -6.97 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.97 -1.16 MgSO4:H2O
|
||||
Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.03 -101.15 4.88 S
|
||||
@ -943,19 +943,19 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.00 -8.48 -8.48 0.000e+00 0 0.000e+00
|
||||
Dolomite 0.00 -17.08 -17.08 1.569e+00 1.569e+00 3.059e-07
|
||||
Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
|
||||
Dolomite 0.00 -17.08 -17.08 1.567e+00 1.567e+00 3.988e-07
|
||||
|
||||
------------------------------Surface composition------------------------------
|
||||
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
2.271e-03 Surface charge, eq
|
||||
1.218e-02 sigma, C/m²
|
||||
4.731e-02 psi, V
|
||||
-1.842e+00 -F*psi/RT
|
||||
1.586e-01 exp(-F*psi/RT)
|
||||
2.452e-03 Surface charge, eq
|
||||
1.314e-02 sigma, C/m²
|
||||
5.022e-02 psi, V
|
||||
-1.955e+00 -F*psi/RT
|
||||
1.416e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
1.800e+04 m² for 3.000e+01 g
|
||||
|
||||
@ -965,12 +965,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH 4.967e-02 0.710 4.967e-02 -1.304
|
||||
SurfOH2+ 1.376e-02 0.197 1.376e-02 -1.861
|
||||
SurfO- 4.108e-03 0.059 4.108e-03 -2.386
|
||||
SurfOHAsO4-3 2.458e-03 0.035 2.458e-03 -2.609
|
||||
SurfHAsO4- 4.223e-06 0.000 4.223e-06 -5.374
|
||||
SurfH2AsO4 3.785e-08 0.000 3.785e-08 -7.422
|
||||
SurfOH 5.085e-02 0.726 5.086e-02 -1.294
|
||||
SurfOH2+ 1.263e-02 0.180 1.263e-02 -1.899
|
||||
SurfO- 4.692e-03 0.067 4.693e-03 -2.329
|
||||
SurfOHAsO4-3 1.826e-03 0.026 1.826e-03 -2.738
|
||||
SurfHAsO4- 2.521e-06 0.000 2.521e-06 -5.598
|
||||
SurfH2AsO4 2.025e-08 0.000 2.025e-08 -7.694
|
||||
|
||||
-----------------------------Exchange composition------------------------------
|
||||
|
||||
@ -979,114 +979,114 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
CaX2 3.379e-01 6.758e-01 6.758e-01 -0.171
|
||||
MgX2 1.616e-01 3.232e-01 3.232e-01 -0.168
|
||||
NaX 9.561e-04 9.561e-04 9.561e-04 -0.043
|
||||
CaX2 3.368e-01 6.735e-01 6.735e-01 -0.171
|
||||
MgX2 1.628e-01 3.255e-01 3.255e-01 -0.168
|
||||
NaX 9.536e-04 9.536e-04 9.536e-04 -0.043
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 3.537e-10 3.537e-10
|
||||
C 7.132e-03 7.132e-03
|
||||
Ca 1.861e-03 1.861e-03
|
||||
As 1.837e-10 1.837e-10
|
||||
C 7.050e-03 7.050e-03
|
||||
Ca 1.803e-03 1.803e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.414e-03 1.414e-03
|
||||
Mg 1.431e-03 1.431e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.048 Charge balance
|
||||
pe = 13.574 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 603
|
||||
Density (g/cm³) = 0.99747
|
||||
pH = 7.046 Charge balance
|
||||
pe = 13.576 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 602
|
||||
Density (g/cm³) = 0.99746
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89401
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.647e-03
|
||||
Ionic strength (mol/kgw) = 9.645e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.069e-03
|
||||
Total CO2 (mol/kg) = 7.132e-03
|
||||
Total alkalinity (eq/kg) = 5.987e-03
|
||||
Total CO2 (mol/kg) = 7.050e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.623e-09
|
||||
Electrical balance (eq) = 7.167e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Iterations = 11
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552498e+01
|
||||
Total O = 5.552477e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.253e-07 1.129e-07 -6.902 -6.947 -0.045 -4.04
|
||||
H+ 9.797e-08 8.960e-08 -7.009 -7.048 -0.039 0.00
|
||||
OH- 1.248e-07 1.125e-07 -6.904 -6.949 -0.045 -4.04
|
||||
H+ 9.833e-08 8.993e-08 -7.007 -7.046 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
As 3.537e-10
|
||||
HAsO4-2 2.207e-10 1.470e-10 -9.656 -9.833 -0.177 (0)
|
||||
H2AsO4- 1.330e-10 1.201e-10 -9.876 -9.920 -0.044 (0)
|
||||
AsO4-3 1.295e-14 5.188e-15 -13.888 -14.285 -0.397 (0)
|
||||
H3AsO4 1.866e-15 1.870e-15 -14.729 -14.728 0.001 (0)
|
||||
As 1.837e-10
|
||||
HAsO4-2 1.145e-10 7.625e-11 -9.941 -10.118 -0.177 (0)
|
||||
H2AsO4- 6.923e-11 6.254e-11 -10.160 -10.204 -0.044 (0)
|
||||
AsO4-3 6.692e-15 2.681e-15 -14.174 -14.572 -0.397 (0)
|
||||
H3AsO4 9.752e-16 9.773e-16 -15.011 -15.010 0.001 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.132e-03
|
||||
HCO3- 5.894e-03 5.343e-03 -2.230 -2.272 -0.043 24.65
|
||||
CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72
|
||||
MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53
|
||||
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60
|
||||
CO3-2 4.142e-06 2.796e-06 -5.383 -5.553 -0.171 -3.67
|
||||
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09
|
||||
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73
|
||||
(CO2)2 2.122e-08 2.127e-08 -7.673 -7.672 0.001 68.87
|
||||
Ca 1.861e-03
|
||||
Ca+2 1.742e-03 1.175e-03 -2.759 -2.930 -0.171 -17.93
|
||||
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72
|
||||
CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50
|
||||
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60
|
||||
CaOH+ 2.410e-09 2.177e-09 -8.618 -8.662 -0.044 (0)
|
||||
CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0)
|
||||
C(4) 7.050e-03
|
||||
HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65
|
||||
CO2 1.075e-03 1.077e-03 -2.969 -2.968 0.001 34.43
|
||||
MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
|
||||
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
|
||||
CO3-2 4.113e-06 2.776e-06 -5.386 -5.557 -0.171 -3.67
|
||||
MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
|
||||
NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
|
||||
(CO2)2 2.123e-08 2.128e-08 -7.673 -7.672 0.001 68.87
|
||||
Ca 1.803e-03
|
||||
Ca+2 1.746e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
|
||||
CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
|
||||
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
|
||||
CaOH+ 2.405e-09 2.173e-09 -8.619 -8.663 -0.044 (0)
|
||||
CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
HCl 3.688e-12 3.724e-12 -11.433 -11.429 0.004 (0)
|
||||
HCl 3.702e-12 3.737e-12 -11.432 -11.427 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.414e-03
|
||||
Mg+2 1.321e-03 8.965e-04 -2.879 -3.047 -0.168 -21.62
|
||||
MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53
|
||||
MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92
|
||||
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09
|
||||
MgOH+ 3.996e-08 3.632e-08 -7.398 -7.440 -0.041 (0)
|
||||
Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69
|
||||
Mg 1.431e-03
|
||||
Mg+2 1.337e-03 9.078e-04 -2.874 -3.042 -0.168 -21.62
|
||||
MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
|
||||
MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
|
||||
MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
|
||||
MgOH+ 4.031e-08 3.664e-08 -7.395 -7.436 -0.041 (0)
|
||||
Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
|
||||
Na 1.227e-04
|
||||
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73
|
||||
NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24
|
||||
NaOH 1.243e-21 1.246e-21 -20.905 -20.904 0.001 (0)
|
||||
Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
NaOH 1.239e-21 1.242e-21 -20.907 -20.906 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.245 -142.290 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.988 -148.160 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.071 -286.070 0.001 30.09
|
||||
HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.394 -142.393 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.066 -286.065 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.810e-04 1.216e-04 -3.742 -3.915 -0.173 17.83
|
||||
MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92
|
||||
CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50
|
||||
NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69
|
||||
HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0)
|
||||
SO4-2 1.807e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
|
||||
MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
|
||||
CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
|
||||
NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
|
||||
HSO4- 1.175e-09 1.061e-09 -8.930 -8.974 -0.044 40.34
|
||||
CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.57 -6.84 -4.28 CaSO4
|
||||
Aragonite -0.15 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
Aragonite -0.15 -8.49 -8.34 CaCO3
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CH4(g) -140.75 -143.55 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
@ -1096,7 +1096,7 @@ S(6) 2.351e-04
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O
|
||||
Hexahydrite -5.39 -6.96 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
@ -1,202 +1,202 @@
|
||||
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
|
||||
1 4.6311e-01 1.6336e-01 5.4020e+00 2.5000e-02 5.8810e+00 0.0000e+00
|
||||
1 3.3982e-04 2.4501e-04 9.3753e-02 1.5319e-03 7.2305e+00 2.5031e+00
|
||||
2 2.7841e-05 1.8927e-05 2.3197e-02 1.8488e-01 8.6742e+00 2.5029e+00
|
||||
3 1.4871e-05 9.3459e-06 1.4410e-02 1.2141e+00 9.1757e+00 2.5017e+00
|
||||
4 1.2989e-05 7.9525e-06 1.2379e-02 2.0465e+00 9.3176e+00 2.4996e+00
|
||||
5 1.2586e-05 7.6552e-06 1.1597e-02 2.3837e+00 9.3589e+00 2.4972e+00
|
||||
6 1.2614e-05 7.6785e-06 1.1209e-02 2.4314e+00 9.3635e+00 2.4948e+00
|
||||
7 1.2816e-05 7.8309e-06 1.0979e-02 2.3487e+00 9.3532e+00 2.4925e+00
|
||||
8 1.3101e-05 8.0448e-06 1.0819e-02 2.2165e+00 9.3364e+00 2.4902e+00
|
||||
9 1.3431e-05 8.2921e-06 1.0692e-02 2.0706e+00 9.3171e+00 2.4882e+00
|
||||
10 1.3789e-05 8.5605e-06 1.0584e-02 1.9262e+00 9.2967e+00 2.4863e+00
|
||||
11 1.4169e-05 8.8445e-06 1.0486e-02 1.7887e+00 9.2760e+00 2.4845e+00
|
||||
12 1.4566e-05 9.1422e-06 1.0396e-02 1.6601e+00 9.2553e+00 2.4828e+00
|
||||
13 1.4981e-05 9.4529e-06 1.0312e-02 1.5405e+00 9.2346e+00 2.4813e+00
|
||||
14 1.5413e-05 9.7768e-06 1.0232e-02 1.4295e+00 9.2141e+00 2.4798e+00
|
||||
15 1.5863e-05 1.0114e-05 1.0156e-02 1.3265e+00 9.1937e+00 2.4785e+00
|
||||
16 1.6333e-05 1.0466e-05 1.0083e-02 1.2309e+00 9.1734e+00 2.4773e+00
|
||||
17 1.6823e-05 1.0834e-05 1.0014e-02 1.1422e+00 9.1532e+00 2.4761e+00
|
||||
18 1.7335e-05 1.1217e-05 9.9480e-03 1.0598e+00 9.1331e+00 2.4751e+00
|
||||
19 1.7870e-05 1.1618e-05 9.8848e-03 9.8312e-01 9.1130e+00 2.4741e+00
|
||||
20 1.8430e-05 1.2037e-05 9.8243e-03 9.1184e-01 9.0929e+00 2.4732e+00
|
||||
21 1.9015e-05 1.2476e-05 9.7662e-03 8.4551e-01 9.0729e+00 2.4723e+00
|
||||
22 1.9628e-05 1.2936e-05 9.7104e-03 7.8377e-01 9.0528e+00 2.4716e+00
|
||||
23 2.0271e-05 1.3417e-05 9.6568e-03 7.2629e-01 9.0328e+00 2.4708e+00
|
||||
24 2.0946e-05 1.3923e-05 9.6051e-03 6.7276e-01 9.0127e+00 2.4702e+00
|
||||
25 2.1654e-05 1.4453e-05 9.5553e-03 6.2290e-01 8.9926e+00 2.4695e+00
|
||||
26 2.2398e-05 1.5011e-05 9.5073e-03 5.7646e-01 8.9724e+00 2.4690e+00
|
||||
27 2.3180e-05 1.5597e-05 9.4609e-03 5.3321e-01 8.9522e+00 2.4684e+00
|
||||
28 2.4003e-05 1.6214e-05 9.4160e-03 4.9293e-01 8.9319e+00 2.4679e+00
|
||||
29 2.4869e-05 1.6863e-05 9.3725e-03 4.5542e-01 8.9115e+00 2.4675e+00
|
||||
30 2.5782e-05 1.7548e-05 9.3303e-03 4.2050e-01 8.8910e+00 2.4671e+00
|
||||
31 2.6746e-05 1.8269e-05 9.2894e-03 3.8799e-01 8.8704e+00 2.4667e+00
|
||||
32 2.7762e-05 1.9031e-05 9.2497e-03 3.5775e-01 8.8496e+00 2.4663e+00
|
||||
33 2.8836e-05 1.9836e-05 9.2109e-03 3.2961e-01 8.8288e+00 2.4660e+00
|
||||
34 2.9971e-05 2.0687e-05 9.1732e-03 3.0345e-01 8.8078e+00 2.4657e+00
|
||||
35 3.1172e-05 2.1587e-05 9.1363e-03 2.7914e-01 8.7866e+00 2.4654e+00
|
||||
36 3.2444e-05 2.2540e-05 9.1003e-03 2.5656e-01 8.7653e+00 2.4651e+00
|
||||
37 3.3792e-05 2.3551e-05 9.0650e-03 2.3559e-01 8.7438e+00 2.4649e+00
|
||||
38 3.5222e-05 2.4622e-05 9.0303e-03 2.1614e-01 8.7221e+00 2.4647e+00
|
||||
39 3.6740e-05 2.5760e-05 8.9962e-03 1.9810e-01 8.7002e+00 2.4645e+00
|
||||
40 3.8353e-05 2.6969e-05 8.9626e-03 1.8138e-01 8.6781e+00 2.4643e+00
|
||||
41 4.0068e-05 2.8254e-05 8.9294e-03 1.6591e-01 8.6558e+00 2.4641e+00
|
||||
42 4.1894e-05 2.9623e-05 8.8965e-03 1.5159e-01 8.6333e+00 2.4640e+00
|
||||
43 4.3840e-05 3.1081e-05 8.8639e-03 1.3835e-01 8.6105e+00 2.4638e+00
|
||||
44 4.5915e-05 3.2636e-05 8.8314e-03 1.2613e-01 8.5875e+00 2.4637e+00
|
||||
45 4.8130e-05 3.4296e-05 8.7990e-03 1.1485e-01 8.5643e+00 2.4636e+00
|
||||
46 5.0496e-05 3.6070e-05 8.7665e-03 1.0445e-01 8.5407e+00 2.4635e+00
|
||||
47 5.3028e-05 3.7968e-05 8.7339e-03 9.4876e-02 8.5169e+00 2.4634e+00
|
||||
48 5.5738e-05 3.9999e-05 8.7011e-03 8.6070e-02 8.4928e+00 2.4633e+00
|
||||
49 5.8643e-05 4.2176e-05 8.6679e-03 7.7978e-02 8.4685e+00 2.4632e+00
|
||||
50 6.1760e-05 4.4512e-05 8.6342e-03 7.0553e-02 8.4438e+00 2.4632e+00
|
||||
51 6.5107e-05 4.7021e-05 8.6000e-03 6.3747e-02 8.4188e+00 2.4631e+00
|
||||
52 6.8705e-05 4.9718e-05 8.5650e-03 5.7517e-02 8.3935e+00 2.4631e+00
|
||||
53 7.2578e-05 5.2621e-05 8.5292e-03 5.1822e-02 8.3678e+00 2.4630e+00
|
||||
54 7.6750e-05 5.5748e-05 8.4923e-03 4.6624e-02 8.3418e+00 2.4630e+00
|
||||
55 8.1250e-05 5.9121e-05 8.4542e-03 4.1886e-02 8.3155e+00 2.4629e+00
|
||||
56 8.6108e-05 6.2763e-05 8.4147e-03 3.7574e-02 8.2888e+00 2.4629e+00
|
||||
57 9.1359e-05 6.6699e-05 8.3737e-03 3.3655e-02 8.2617e+00 2.4628e+00
|
||||
58 9.7040e-05 7.0957e-05 8.3308e-03 3.0101e-02 8.2343e+00 2.4628e+00
|
||||
59 1.0319e-04 7.5569e-05 8.2860e-03 2.6881e-02 8.2065e+00 2.4628e+00
|
||||
60 1.0986e-04 8.0568e-05 8.2388e-03 2.3971e-02 8.1784e+00 2.4628e+00
|
||||
61 1.1710e-04 8.5993e-05 8.1891e-03 2.1344e-02 8.1498e+00 2.4627e+00
|
||||
62 1.2496e-04 9.1886e-05 8.1366e-03 1.8978e-02 8.1209e+00 2.4627e+00
|
||||
63 1.3350e-04 9.8292e-05 8.0809e-03 1.6851e-02 8.0916e+00 2.4627e+00
|
||||
64 1.4280e-04 1.0526e-04 8.0217e-03 1.4942e-02 8.0620e+00 2.4627e+00
|
||||
65 1.5292e-04 1.1285e-04 7.9586e-03 1.3233e-02 8.0320e+00 2.4627e+00
|
||||
66 1.6395e-04 1.2111e-04 7.8912e-03 1.1705e-02 8.0016e+00 2.4627e+00
|
||||
67 1.7596e-04 1.3012e-04 7.8192e-03 1.0342e-02 7.9709e+00 2.4627e+00
|
||||
68 1.8907e-04 1.3994e-04 7.7420e-03 9.1295e-03 7.9399e+00 2.4626e+00
|
||||
69 2.0336e-04 1.5066e-04 7.6592e-03 8.0524e-03 7.9087e+00 2.4626e+00
|
||||
70 2.1894e-04 1.6234e-04 7.5703e-03 7.0978e-03 7.8771e+00 2.4626e+00
|
||||
71 2.3593e-04 1.7508e-04 7.4748e-03 6.2535e-03 7.8454e+00 2.4626e+00
|
||||
72 2.5446e-04 1.8897e-04 7.3722e-03 5.5084e-03 7.8135e+00 2.4626e+00
|
||||
73 2.7463e-04 2.0409e-04 7.2618e-03 4.8521e-03 7.7814e+00 2.4626e+00
|
||||
74 2.9659e-04 2.2055e-04 7.1434e-03 4.2752e-03 7.7493e+00 2.4626e+00
|
||||
75 3.2045e-04 2.3845e-04 7.0162e-03 3.7691e-03 7.7172e+00 2.4626e+00
|
||||
76 3.4635e-04 2.5786e-04 6.8800e-03 3.3259e-03 7.6851e+00 2.4626e+00
|
||||
77 3.7440e-04 2.7889e-04 6.7342e-03 2.9386e-03 7.6532e+00 2.4626e+00
|
||||
78 4.0470e-04 3.0161e-04 6.5786e-03 2.6006e-03 7.6215e+00 2.4626e+00
|
||||
79 4.3734e-04 3.2608e-04 6.4130e-03 2.3060e-03 7.5901e+00 2.4626e+00
|
||||
80 4.7239e-04 3.5236e-04 6.2372e-03 2.0498e-03 7.5592e+00 2.4626e+00
|
||||
81 5.0989e-04 3.8047e-04 6.0514e-03 1.8271e-03 7.5287e+00 2.4626e+00
|
||||
82 5.4982e-04 4.1041e-04 5.8558e-03 1.6337e-03 7.4988e+00 2.4626e+00
|
||||
83 5.9216e-04 4.4215e-04 5.6508e-03 1.4660e-03 7.4697e+00 2.4626e+00
|
||||
84 6.3681e-04 4.7562e-04 5.4371e-03 1.3206e-03 7.4413e+00 2.4626e+00
|
||||
85 6.8364e-04 5.1072e-04 5.2154e-03 1.1946e-03 7.4138e+00 2.4626e+00
|
||||
86 7.3244e-04 5.4730e-04 4.9870e-03 1.0855e-03 7.3873e+00 2.4626e+00
|
||||
87 7.8274e-04 5.8543e-04 4.7528e-03 9.9091e-04 7.3618e+00 2.4626e+00
|
||||
88 8.3380e-04 6.2532e-04 4.5141e-03 9.0878e-04 7.3374e+00 2.4626e+00
|
||||
89 8.8593e-04 6.6610e-04 4.2730e-03 8.3762e-04 7.3142e+00 2.4626e+00
|
||||
90 9.3873e-04 7.0745e-04 4.0310e-03 7.7596e-04 7.2921e+00 2.4626e+00
|
||||
91 9.9182e-04 7.4907e-04 3.7899e-03 7.2250e-04 7.2714e+00 2.4626e+00
|
||||
92 1.0448e-03 7.9064e-04 3.5514e-03 6.7611e-04 7.2519e+00 2.4626e+00
|
||||
93 1.0973e-03 8.3185e-04 3.3171e-03 6.3583e-04 7.2337e+00 2.4626e+00
|
||||
94 1.1489e-03 8.7238e-04 3.0885e-03 6.0081e-04 7.2167e+00 2.4626e+00
|
||||
95 1.1992e-03 9.1197e-04 2.8670e-03 5.7034e-04 7.2009e+00 2.4626e+00
|
||||
96 1.2480e-03 9.5035e-04 2.6538e-03 5.4379e-04 7.1864e+00 2.4626e+00
|
||||
97 1.2950e-03 9.8730e-04 2.4499e-03 5.2064e-04 7.1730e+00 2.4626e+00
|
||||
98 1.3399e-03 1.0226e-03 2.2561e-03 5.0043e-04 7.1607e+00 2.4626e+00
|
||||
99 1.3826e-03 1.0562e-03 2.0729e-03 4.8276e-04 7.1494e+00 2.4626e+00
|
||||
100 1.4229e-03 1.0879e-03 1.9008e-03 4.6730e-04 7.1392e+00 2.4626e+00
|
||||
101 1.4608e-03 1.1177e-03 1.7399e-03 4.5375e-04 7.1298e+00 2.4626e+00
|
||||
102 1.4962e-03 1.1456e-03 1.5901e-03 4.4188e-04 7.1214e+00 2.4626e+00
|
||||
103 1.5291e-03 1.1715e-03 1.4514e-03 4.3145e-04 7.1137e+00 2.4626e+00
|
||||
104 1.5596e-03 1.1954e-03 1.3234e-03 4.2230e-04 7.1067e+00 2.4626e+00
|
||||
105 1.5877e-03 1.2175e-03 1.2058e-03 4.1425e-04 7.1005e+00 2.4626e+00
|
||||
106 1.6136e-03 1.2378e-03 1.0981e-03 4.0716e-04 7.0948e+00 2.4626e+00
|
||||
107 1.6372e-03 1.2563e-03 9.9978e-04 4.0092e-04 7.0897e+00 2.4626e+00
|
||||
108 1.6589e-03 1.2732e-03 9.1028e-04 3.9542e-04 7.0852e+00 2.4626e+00
|
||||
109 1.6785e-03 1.2885e-03 8.2903e-04 3.9057e-04 7.0811e+00 2.4626e+00
|
||||
110 1.6964e-03 1.3025e-03 7.5545e-04 3.8630e-04 7.0774e+00 2.4626e+00
|
||||
111 1.7126e-03 1.3151e-03 6.8895e-04 3.8252e-04 7.0742e+00 2.4626e+00
|
||||
112 1.7273e-03 1.3264e-03 6.2897e-04 3.7919e-04 7.0712e+00 2.4626e+00
|
||||
113 1.7405e-03 1.3366e-03 5.7496e-04 3.7624e-04 7.0686e+00 2.4626e+00
|
||||
114 1.7524e-03 1.3458e-03 5.2642e-04 3.7363e-04 7.0663e+00 2.4626e+00
|
||||
115 1.7631e-03 1.3541e-03 4.8284e-04 3.7133e-04 7.0642e+00 2.4626e+00
|
||||
116 1.7727e-03 1.3615e-03 4.4378e-04 3.6929e-04 7.0624e+00 2.4626e+00
|
||||
117 1.7814e-03 1.3681e-03 4.0879e-04 3.6749e-04 7.0607e+00 2.4626e+00
|
||||
118 1.7892e-03 1.3740e-03 3.7750e-04 3.6590e-04 7.0592e+00 2.4626e+00
|
||||
119 1.7961e-03 1.3792e-03 3.4953e-04 3.6449e-04 7.0579e+00 2.4626e+00
|
||||
120 1.8024e-03 1.3839e-03 3.2455e-04 3.6324e-04 7.0568e+00 2.4626e+00
|
||||
121 1.8080e-03 1.3880e-03 3.0226e-04 3.6213e-04 7.0557e+00 2.4626e+00
|
||||
122 1.8130e-03 1.3917e-03 2.8239e-04 3.6115e-04 7.0548e+00 2.4626e+00
|
||||
123 1.8174e-03 1.3950e-03 2.6467e-04 3.6028e-04 7.0540e+00 2.4626e+00
|
||||
124 1.8214e-03 1.3979e-03 2.4889e-04 3.5952e-04 7.0533e+00 2.4626e+00
|
||||
125 1.8250e-03 1.4005e-03 2.3484e-04 3.5883e-04 7.0526e+00 2.4626e+00
|
||||
126 1.8282e-03 1.4028e-03 2.2233e-04 3.5823e-04 7.0520e+00 2.4626e+00
|
||||
127 1.8311e-03 1.4048e-03 2.1121e-04 3.5770e-04 7.0515e+00 2.4626e+00
|
||||
128 1.8337e-03 1.4066e-03 2.0131e-04 3.5723e-04 7.0511e+00 2.4626e+00
|
||||
129 1.8360e-03 1.4081e-03 1.9251e-04 3.5681e-04 7.0507e+00 2.4626e+00
|
||||
130 1.8380e-03 1.4095e-03 1.8469e-04 3.5644e-04 7.0503e+00 2.4626e+00
|
||||
131 1.8399e-03 1.4107e-03 1.7774e-04 3.5611e-04 7.0500e+00 2.4626e+00
|
||||
132 1.8415e-03 1.4118e-03 1.7156e-04 3.5582e-04 7.0497e+00 2.4626e+00
|
||||
133 1.8430e-03 1.4127e-03 1.6607e-04 3.5556e-04 7.0495e+00 2.4626e+00
|
||||
134 1.8444e-03 1.4135e-03 1.6120e-04 3.5533e-04 7.0493e+00 2.4626e+00
|
||||
135 1.8456e-03 1.4142e-03 1.5687e-04 3.5513e-04 7.0491e+00 2.4626e+00
|
||||
136 1.8467e-03 1.4148e-03 1.5302e-04 3.5495e-04 7.0489e+00 2.4626e+00
|
||||
137 1.8476e-03 1.4153e-03 1.4961e-04 3.5479e-04 7.0488e+00 2.4626e+00
|
||||
138 1.8485e-03 1.4158e-03 1.4658e-04 3.5465e-04 7.0486e+00 2.4626e+00
|
||||
139 1.8493e-03 1.4162e-03 1.4389e-04 3.5453e-04 7.0485e+00 2.4626e+00
|
||||
140 1.8500e-03 1.4165e-03 1.4150e-04 3.5442e-04 7.0484e+00 2.4626e+00
|
||||
141 1.8507e-03 1.4168e-03 1.3938e-04 3.5433e-04 7.0483e+00 2.4626e+00
|
||||
142 1.8513e-03 1.4170e-03 1.3750e-04 3.5424e-04 7.0482e+00 2.4626e+00
|
||||
143 1.8519e-03 1.4172e-03 1.3583e-04 3.5417e-04 7.0481e+00 2.4626e+00
|
||||
144 1.8524e-03 1.4174e-03 1.3435e-04 3.5410e-04 7.0481e+00 2.4626e+00
|
||||
145 1.8528e-03 1.4175e-03 1.3303e-04 3.5404e-04 7.0480e+00 2.4626e+00
|
||||
146 1.8532e-03 1.4176e-03 1.3187e-04 3.5399e-04 7.0480e+00 2.4626e+00
|
||||
147 1.8536e-03 1.4177e-03 1.3083e-04 3.5394e-04 7.0479e+00 2.4626e+00
|
||||
148 1.8540e-03 1.4177e-03 1.2991e-04 3.5390e-04 7.0479e+00 2.4626e+00
|
||||
149 1.8543e-03 1.4177e-03 1.2910e-04 3.5387e-04 7.0479e+00 2.4626e+00
|
||||
150 1.8546e-03 1.4178e-03 1.2837e-04 3.5384e-04 7.0478e+00 2.4626e+00
|
||||
151 1.8549e-03 1.4178e-03 1.2773e-04 3.5381e-04 7.0478e+00 2.4626e+00
|
||||
152 1.8552e-03 1.4177e-03 1.2716e-04 3.5379e-04 7.0478e+00 2.4626e+00
|
||||
153 1.8554e-03 1.4177e-03 1.2666e-04 3.5377e-04 7.0478e+00 2.4626e+00
|
||||
154 1.8557e-03 1.4177e-03 1.2621e-04 3.5375e-04 7.0477e+00 2.4626e+00
|
||||
155 1.8559e-03 1.4176e-03 1.2581e-04 3.5374e-04 7.0477e+00 2.4626e+00
|
||||
156 1.8561e-03 1.4176e-03 1.2546e-04 3.5372e-04 7.0477e+00 2.4626e+00
|
||||
157 1.8563e-03 1.4175e-03 1.2514e-04 3.5371e-04 7.0477e+00 2.4626e+00
|
||||
158 1.8565e-03 1.4175e-03 1.2487e-04 3.5370e-04 7.0477e+00 2.4626e+00
|
||||
159 1.8567e-03 1.4174e-03 1.2462e-04 3.5369e-04 7.0477e+00 2.4626e+00
|
||||
160 1.8568e-03 1.4173e-03 1.2440e-04 3.5369e-04 7.0477e+00 2.4626e+00
|
||||
161 1.8570e-03 1.4173e-03 1.2421e-04 3.5368e-04 7.0477e+00 2.4626e+00
|
||||
162 1.8572e-03 1.4172e-03 1.2404e-04 3.5368e-04 7.0477e+00 2.4626e+00
|
||||
163 1.8573e-03 1.4171e-03 1.2388e-04 3.5367e-04 7.0477e+00 2.4626e+00
|
||||
164 1.8575e-03 1.4170e-03 1.2375e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
165 1.8576e-03 1.4169e-03 1.2363e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
166 1.8578e-03 1.4168e-03 1.2352e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
167 1.8579e-03 1.4167e-03 1.2343e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
168 1.8580e-03 1.4166e-03 1.2334e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
169 1.8582e-03 1.4165e-03 1.2327e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
170 1.8583e-03 1.4165e-03 1.2320e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
171 1.8584e-03 1.4164e-03 1.2314e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
172 1.8586e-03 1.4163e-03 1.2309e-04 3.5366e-04 7.0477e+00 2.4625e+00
|
||||
173 1.8587e-03 1.4162e-03 1.2304e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
174 1.8588e-03 1.4161e-03 1.2300e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
175 1.8589e-03 1.4160e-03 1.2297e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
176 1.8590e-03 1.4159e-03 1.2294e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
177 1.8591e-03 1.4158e-03 1.2291e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
178 1.8593e-03 1.4157e-03 1.2288e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
179 1.8594e-03 1.4156e-03 1.2286e-04 3.5367e-04 7.0477e+00 2.4625e+00
|
||||
180 1.8595e-03 1.4155e-03 1.2284e-04 3.5368e-04 7.0477e+00 2.4625e+00
|
||||
181 1.8596e-03 1.4154e-03 1.2282e-04 3.5368e-04 7.0477e+00 2.4625e+00
|
||||
182 1.8597e-03 1.4153e-03 1.2281e-04 3.5368e-04 7.0477e+00 2.4625e+00
|
||||
183 1.8598e-03 1.4152e-03 1.2279e-04 3.5368e-04 7.0477e+00 2.4625e+00
|
||||
184 1.8599e-03 1.4151e-03 1.2278e-04 3.5369e-04 7.0477e+00 2.4625e+00
|
||||
185 1.8600e-03 1.4150e-03 1.2277e-04 3.5369e-04 7.0477e+00 2.4625e+00
|
||||
186 1.8601e-03 1.4149e-03 1.2276e-04 3.5369e-04 7.0477e+00 2.4625e+00
|
||||
187 1.8602e-03 1.4148e-03 1.2275e-04 3.5369e-04 7.0477e+00 2.4625e+00
|
||||
188 1.8603e-03 1.4147e-03 1.2274e-04 3.5369e-04 7.0477e+00 2.4625e+00
|
||||
189 1.8604e-03 1.4146e-03 1.2274e-04 3.5370e-04 7.0477e+00 2.4625e+00
|
||||
190 1.8605e-03 1.4145e-03 1.2273e-04 3.5370e-04 7.0477e+00 2.4625e+00
|
||||
191 1.8606e-03 1.4145e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00
|
||||
192 1.8607e-03 1.4144e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00
|
||||
193 1.8608e-03 1.4143e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00
|
||||
194 1.8609e-03 1.4142e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00
|
||||
195 1.8610e-03 1.4141e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00
|
||||
196 1.8611e-03 1.4140e-03 1.2270e-04 3.5371e-04 7.0477e+00 2.4625e+00
|
||||
197 1.8612e-03 1.4139e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00
|
||||
198 1.8613e-03 1.4138e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00
|
||||
199 1.8614e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00
|
||||
200 1.8615e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00
|
||||
1 4.6224e-01 1.6417e-01 5.4020e+00 2.5000e-02 5.7200e+00 0.0000e+00
|
||||
1 3.4012e-04 2.8376e-04 9.8893e-02 6.9061e-04 7.1604e+00 1.8502e+00
|
||||
2 2.8798e-05 2.0914e-05 2.4017e-02 7.7563e-02 8.6169e+00 1.8501e+00
|
||||
3 1.4730e-05 9.6045e-06 1.4376e-02 6.0687e-01 9.1600e+00 1.8495e+00
|
||||
4 1.2797e-05 8.0657e-06 1.2262e-02 1.0664e+00 9.3111e+00 1.8485e+00
|
||||
5 1.2388e-05 7.7402e-06 1.1473e-02 1.2555e+00 9.3547e+00 1.8472e+00
|
||||
6 1.2412e-05 7.7568e-06 1.1090e-02 1.2842e+00 9.3600e+00 1.8459e+00
|
||||
7 1.2606e-05 7.9080e-06 1.0866e-02 1.2413e+00 9.3499e+00 1.8447e+00
|
||||
8 1.2879e-05 8.1219e-06 1.0710e-02 1.1714e+00 9.3334e+00 1.8435e+00
|
||||
9 1.3195e-05 8.3693e-06 1.0588e-02 1.0944e+00 9.3143e+00 1.8424e+00
|
||||
10 1.3537e-05 8.6376e-06 1.0483e-02 1.0181e+00 9.2942e+00 1.8414e+00
|
||||
11 1.3899e-05 8.9215e-06 1.0388e-02 9.4559e-01 9.2738e+00 1.8405e+00
|
||||
12 1.4278e-05 9.2189e-06 1.0300e-02 8.7770e-01 9.2533e+00 1.8396e+00
|
||||
13 1.4674e-05 9.5292e-06 1.0218e-02 8.1456e-01 9.2330e+00 1.8388e+00
|
||||
14 1.5086e-05 9.8526e-06 1.0139e-02 7.5594e-01 9.2127e+00 1.8380e+00
|
||||
15 1.5516e-05 1.0190e-05 1.0065e-02 7.0154e-01 9.1925e+00 1.8373e+00
|
||||
16 1.5964e-05 1.0541e-05 9.9941e-03 6.5104e-01 9.1725e+00 1.8367e+00
|
||||
17 1.6431e-05 1.0908e-05 9.9263e-03 6.0413e-01 9.1525e+00 1.8361e+00
|
||||
18 1.6919e-05 1.1291e-05 9.8615e-03 5.6054e-01 9.1325e+00 1.8355e+00
|
||||
19 1.7429e-05 1.1691e-05 9.7994e-03 5.2000e-01 9.1127e+00 1.8350e+00
|
||||
20 1.7963e-05 1.2109e-05 9.7399e-03 4.8229e-01 9.0928e+00 1.8345e+00
|
||||
21 1.8521e-05 1.2547e-05 9.6827e-03 4.4720e-01 9.0729e+00 1.8340e+00
|
||||
22 1.9106e-05 1.3006e-05 9.6278e-03 4.1452e-01 9.0531e+00 1.8336e+00
|
||||
23 1.9719e-05 1.3487e-05 9.5749e-03 3.8410e-01 9.0332e+00 1.8332e+00
|
||||
24 2.0362e-05 1.3991e-05 9.5240e-03 3.5576e-01 9.0133e+00 1.8329e+00
|
||||
25 2.1037e-05 1.4521e-05 9.4749e-03 3.2937e-01 8.9934e+00 1.8326e+00
|
||||
26 2.1746e-05 1.5077e-05 9.4275e-03 3.0479e-01 8.9733e+00 1.8323e+00
|
||||
27 2.2492e-05 1.5662e-05 9.3817e-03 2.8190e-01 8.9533e+00 1.8320e+00
|
||||
28 2.3276e-05 1.6277e-05 9.3374e-03 2.6057e-01 8.9331e+00 1.8317e+00
|
||||
29 2.4102e-05 1.6925e-05 9.2944e-03 2.4072e-01 8.9128e+00 1.8315e+00
|
||||
30 2.4972e-05 1.7607e-05 9.2528e-03 2.2224e-01 8.8925e+00 1.8313e+00
|
||||
31 2.5890e-05 1.8327e-05 9.2123e-03 2.0503e-01 8.8720e+00 1.8310e+00
|
||||
32 2.6858e-05 1.9087e-05 9.1730e-03 1.8903e-01 8.8514e+00 1.8309e+00
|
||||
33 2.7881e-05 1.9889e-05 9.1347e-03 1.7414e-01 8.8307e+00 1.8307e+00
|
||||
34 2.8963e-05 2.0738e-05 9.0973e-03 1.6030e-01 8.8098e+00 1.8305e+00
|
||||
35 3.0107e-05 2.1635e-05 9.0608e-03 1.4744e-01 8.7887e+00 1.8304e+00
|
||||
36 3.1318e-05 2.2585e-05 9.0251e-03 1.3549e-01 8.7675e+00 1.8302e+00
|
||||
37 3.2602e-05 2.3592e-05 8.9902e-03 1.2440e-01 8.7461e+00 1.8301e+00
|
||||
38 3.3964e-05 2.4659e-05 8.9558e-03 1.1412e-01 8.7246e+00 1.8300e+00
|
||||
39 3.5409e-05 2.5793e-05 8.9221e-03 1.0458e-01 8.7028e+00 1.8299e+00
|
||||
40 3.6945e-05 2.6997e-05 8.8888e-03 9.5744e-02 8.6808e+00 1.8298e+00
|
||||
41 3.8578e-05 2.8278e-05 8.8559e-03 8.7564e-02 8.6586e+00 1.8297e+00
|
||||
42 4.0316e-05 2.9641e-05 8.8234e-03 7.9998e-02 8.6362e+00 1.8296e+00
|
||||
43 4.2168e-05 3.1093e-05 8.7911e-03 7.3004e-02 8.6136e+00 1.8296e+00
|
||||
44 4.4143e-05 3.2641e-05 8.7589e-03 6.6546e-02 8.5907e+00 1.8295e+00
|
||||
45 4.6251e-05 3.4294e-05 8.7268e-03 6.0588e-02 8.5675e+00 1.8294e+00
|
||||
46 4.8503e-05 3.6060e-05 8.6947e-03 5.5097e-02 8.5441e+00 1.8294e+00
|
||||
47 5.0912e-05 3.7949e-05 8.6625e-03 5.0041e-02 8.5204e+00 1.8293e+00
|
||||
48 5.3491e-05 3.9971e-05 8.6300e-03 4.5392e-02 8.4964e+00 1.8293e+00
|
||||
49 5.6256e-05 4.2138e-05 8.5972e-03 4.1120e-02 8.4721e+00 1.8292e+00
|
||||
50 5.9221e-05 4.4462e-05 8.5640e-03 3.7201e-02 8.4475e+00 1.8292e+00
|
||||
51 6.2406e-05 4.6958e-05 8.5301e-03 3.3609e-02 8.4226e+00 1.8292e+00
|
||||
52 6.5830e-05 4.9642e-05 8.4956e-03 3.0322e-02 8.3973e+00 1.8291e+00
|
||||
53 6.9514e-05 5.2529e-05 8.4602e-03 2.7317e-02 8.3718e+00 1.8291e+00
|
||||
54 7.3485e-05 5.5640e-05 8.4238e-03 2.4574e-02 8.3459e+00 1.8291e+00
|
||||
55 7.7766e-05 5.8996e-05 8.3863e-03 2.2075e-02 8.3196e+00 1.8291e+00
|
||||
56 8.2389e-05 6.2618e-05 8.3474e-03 1.9801e-02 8.2930e+00 1.8290e+00
|
||||
57 8.7386e-05 6.6532e-05 8.3070e-03 1.7734e-02 8.2660e+00 1.8290e+00
|
||||
58 9.2793e-05 7.0768e-05 8.2648e-03 1.5859e-02 8.2386e+00 1.8290e+00
|
||||
59 9.8649e-05 7.5354e-05 8.2207e-03 1.4162e-02 8.2109e+00 1.8290e+00
|
||||
60 1.0500e-04 8.0327e-05 8.1743e-03 1.2627e-02 8.1828e+00 1.8290e+00
|
||||
61 1.1189e-04 8.5723e-05 8.1255e-03 1.1242e-02 8.1543e+00 1.8290e+00
|
||||
62 1.1938e-04 9.1584e-05 8.0738e-03 9.9950e-03 8.1254e+00 1.8290e+00
|
||||
63 1.2751e-04 9.7956e-05 8.0191e-03 8.8736e-03 8.0962e+00 1.8290e+00
|
||||
64 1.3637e-04 1.0489e-04 7.9610e-03 7.8674e-03 8.0666e+00 1.8289e+00
|
||||
65 1.4602e-04 1.1244e-04 7.8991e-03 6.9663e-03 8.0366e+00 1.8289e+00
|
||||
66 1.5653e-04 1.2066e-04 7.8330e-03 6.1611e-03 8.0062e+00 1.8289e+00
|
||||
67 1.6799e-04 1.2963e-04 7.7623e-03 5.4429e-03 7.9756e+00 1.8289e+00
|
||||
68 1.8049e-04 1.3940e-04 7.6865e-03 4.8037e-03 7.9446e+00 1.8289e+00
|
||||
69 1.9413e-04 1.5007e-04 7.6053e-03 4.2361e-03 7.9133e+00 1.8289e+00
|
||||
70 2.0902e-04 1.6170e-04 7.5180e-03 3.7330e-03 7.8817e+00 1.8289e+00
|
||||
71 2.2526e-04 1.7439e-04 7.4242e-03 3.2880e-03 7.8499e+00 1.8289e+00
|
||||
72 2.4297e-04 1.8823e-04 7.3235e-03 2.8954e-03 7.8180e+00 1.8289e+00
|
||||
73 2.6228e-04 2.0331e-04 7.2151e-03 2.5496e-03 7.7859e+00 1.8289e+00
|
||||
74 2.8331e-04 2.1973e-04 7.0987e-03 2.2456e-03 7.7537e+00 1.8289e+00
|
||||
75 3.0619e-04 2.3759e-04 6.9737e-03 1.9790e-03 7.7214e+00 1.8289e+00
|
||||
76 3.3104e-04 2.5698e-04 6.8397e-03 1.7456e-03 7.6893e+00 1.8289e+00
|
||||
77 3.5798e-04 2.7798e-04 6.6963e-03 1.5416e-03 7.6572e+00 1.8289e+00
|
||||
78 3.8711e-04 3.0069e-04 6.5431e-03 1.3636e-03 7.6254e+00 1.8289e+00
|
||||
79 4.1854e-04 3.2518e-04 6.3799e-03 1.2085e-03 7.5938e+00 1.8289e+00
|
||||
80 4.5223e-04 3.5158e-04 6.2066e-03 1.0736e-03 7.5627e+00 1.8289e+00
|
||||
81 4.8765e-04 3.8060e-04 6.0223e-03 9.5591e-04 7.5319e+00 1.8289e+00
|
||||
82 5.2542e-04 4.1158e-04 5.8285e-03 8.5381e-04 7.5017e+00 1.8289e+00
|
||||
83 5.6547e-04 4.4448e-04 5.6253e-03 7.6535e-04 7.4722e+00 1.8289e+00
|
||||
84 6.0773e-04 4.7922e-04 5.4134e-03 6.8877e-04 7.4435e+00 1.8289e+00
|
||||
85 6.5205e-04 5.1570e-04 5.1935e-03 6.2251e-04 7.4157e+00 1.8289e+00
|
||||
86 6.9826e-04 5.5377e-04 4.9668e-03 5.6518e-04 7.3888e+00 1.8289e+00
|
||||
87 7.4613e-04 5.9324e-04 4.7345e-03 5.1559e-04 7.3631e+00 1.8289e+00
|
||||
88 7.9538e-04 6.3387e-04 4.4979e-03 4.7268e-04 7.3385e+00 1.8289e+00
|
||||
89 8.4568e-04 6.7540e-04 4.2586e-03 4.3553e-04 7.3150e+00 1.8289e+00
|
||||
90 8.9670e-04 7.1753e-04 4.0183e-03 4.0336e-04 7.2928e+00 1.8289e+00
|
||||
91 9.4805e-04 7.5995e-04 3.7788e-03 3.7548e-04 7.2719e+00 1.8289e+00
|
||||
92 9.9935e-04 8.0234e-04 3.5416e-03 3.5130e-04 7.2522e+00 1.8289e+00
|
||||
93 1.0502e-03 8.4437e-04 3.3084e-03 3.3030e-04 7.2338e+00 1.8289e+00
|
||||
94 1.1003e-03 8.8573e-04 3.0808e-03 3.1206e-04 7.2167e+00 1.8289e+00
|
||||
95 1.1492e-03 9.2613e-04 2.8602e-03 2.9619e-04 7.2008e+00 1.8289e+00
|
||||
96 1.1966e-03 9.6531e-04 2.6478e-03 2.8237e-04 7.1861e+00 1.8289e+00
|
||||
97 1.2423e-03 1.0030e-03 2.4445e-03 2.7032e-04 7.1726e+00 1.8289e+00
|
||||
98 1.2860e-03 1.0391e-03 2.2513e-03 2.5980e-04 7.1602e+00 1.8289e+00
|
||||
99 1.3276e-03 1.0734e-03 2.0686e-03 2.5061e-04 7.1488e+00 1.8289e+00
|
||||
100 1.3669e-03 1.1058e-03 1.8968e-03 2.4257e-04 7.1384e+00 1.8289e+00
|
||||
101 1.4039e-03 1.1362e-03 1.7362e-03 2.3553e-04 7.1290e+00 1.8289e+00
|
||||
102 1.4385e-03 1.1646e-03 1.5868e-03 2.2936e-04 7.1204e+00 1.8289e+00
|
||||
103 1.4707e-03 1.1910e-03 1.4483e-03 2.2395e-04 7.1126e+00 1.8289e+00
|
||||
104 1.5005e-03 1.2155e-03 1.3205e-03 2.1920e-04 7.1056e+00 1.8289e+00
|
||||
105 1.5280e-03 1.2380e-03 1.2031e-03 2.1502e-04 7.0993e+00 1.8289e+00
|
||||
106 1.5533e-03 1.2586e-03 1.0956e-03 2.1134e-04 7.0936e+00 1.8289e+00
|
||||
107 1.5765e-03 1.2775e-03 9.9741e-04 2.0810e-04 7.0885e+00 1.8289e+00
|
||||
108 1.5977e-03 1.2947e-03 9.0805e-04 2.0525e-04 7.0839e+00 1.8289e+00
|
||||
109 1.6170e-03 1.3104e-03 8.2693e-04 2.0274e-04 7.0797e+00 1.8289e+00
|
||||
110 1.6345e-03 1.3245e-03 7.5347e-04 2.0052e-04 7.0760e+00 1.8289e+00
|
||||
111 1.6505e-03 1.3373e-03 6.8709e-04 1.9857e-04 7.0727e+00 1.8289e+00
|
||||
112 1.6648e-03 1.3488e-03 6.2722e-04 1.9684e-04 7.0698e+00 1.8289e+00
|
||||
113 1.6779e-03 1.3592e-03 5.7333e-04 1.9531e-04 7.0671e+00 1.8289e+00
|
||||
114 1.6896e-03 1.3685e-03 5.2489e-04 1.9396e-04 7.0648e+00 1.8289e+00
|
||||
115 1.7002e-03 1.3768e-03 4.8141e-04 1.9277e-04 7.0627e+00 1.8289e+00
|
||||
116 1.7097e-03 1.3843e-03 4.4244e-04 1.9172e-04 7.0608e+00 1.8289e+00
|
||||
117 1.7182e-03 1.3909e-03 4.0755e-04 1.9079e-04 7.0591e+00 1.8289e+00
|
||||
118 1.7259e-03 1.3968e-03 3.7634e-04 1.8996e-04 7.0577e+00 1.8289e+00
|
||||
119 1.7328e-03 1.4021e-03 3.4845e-04 1.8923e-04 7.0563e+00 1.8289e+00
|
||||
120 1.7390e-03 1.4068e-03 3.2355e-04 1.8859e-04 7.0552e+00 1.8289e+00
|
||||
121 1.7445e-03 1.4109e-03 3.0134e-04 1.8802e-04 7.0541e+00 1.8289e+00
|
||||
122 1.7495e-03 1.4146e-03 2.8153e-04 1.8751e-04 7.0532e+00 1.8289e+00
|
||||
123 1.7540e-03 1.4179e-03 2.6388e-04 1.8706e-04 7.0524e+00 1.8289e+00
|
||||
124 1.7580e-03 1.4207e-03 2.4816e-04 1.8667e-04 7.0516e+00 1.8289e+00
|
||||
125 1.7616e-03 1.4233e-03 2.3417e-04 1.8632e-04 7.0510e+00 1.8289e+00
|
||||
126 1.7648e-03 1.4255e-03 2.2171e-04 1.8600e-04 7.0504e+00 1.8289e+00
|
||||
127 1.7677e-03 1.4274e-03 2.1064e-04 1.8573e-04 7.0499e+00 1.8289e+00
|
||||
128 1.7703e-03 1.4292e-03 2.0079e-04 1.8549e-04 7.0494e+00 1.8289e+00
|
||||
129 1.7727e-03 1.4307e-03 1.9203e-04 1.8527e-04 7.0490e+00 1.8289e+00
|
||||
130 1.7748e-03 1.4320e-03 1.8425e-04 1.8508e-04 7.0487e+00 1.8289e+00
|
||||
131 1.7767e-03 1.4331e-03 1.7733e-04 1.8491e-04 7.0484e+00 1.8289e+00
|
||||
132 1.7784e-03 1.4341e-03 1.7119e-04 1.8476e-04 7.0481e+00 1.8289e+00
|
||||
133 1.7799e-03 1.4349e-03 1.6574e-04 1.8463e-04 7.0478e+00 1.8289e+00
|
||||
134 1.7813e-03 1.4357e-03 1.6089e-04 1.8451e-04 7.0476e+00 1.8289e+00
|
||||
135 1.7826e-03 1.4363e-03 1.5659e-04 1.8441e-04 7.0474e+00 1.8289e+00
|
||||
136 1.7838e-03 1.4368e-03 1.5277e-04 1.8432e-04 7.0473e+00 1.8289e+00
|
||||
137 1.7848e-03 1.4373e-03 1.4938e-04 1.8424e-04 7.0471e+00 1.8289e+00
|
||||
138 1.7858e-03 1.4376e-03 1.4637e-04 1.8417e-04 7.0470e+00 1.8289e+00
|
||||
139 1.7866e-03 1.4379e-03 1.4370e-04 1.8411e-04 7.0468e+00 1.8289e+00
|
||||
140 1.7874e-03 1.4382e-03 1.4133e-04 1.8405e-04 7.0467e+00 1.8289e+00
|
||||
141 1.7882e-03 1.4384e-03 1.3922e-04 1.8400e-04 7.0467e+00 1.8289e+00
|
||||
142 1.7888e-03 1.4385e-03 1.3736e-04 1.8396e-04 7.0466e+00 1.8289e+00
|
||||
143 1.7895e-03 1.4386e-03 1.3570e-04 1.8392e-04 7.0465e+00 1.8289e+00
|
||||
144 1.7900e-03 1.4387e-03 1.3423e-04 1.8389e-04 7.0464e+00 1.8289e+00
|
||||
145 1.7906e-03 1.4388e-03 1.3293e-04 1.8386e-04 7.0464e+00 1.8289e+00
|
||||
146 1.7911e-03 1.4388e-03 1.3177e-04 1.8383e-04 7.0463e+00 1.8289e+00
|
||||
147 1.7915e-03 1.4388e-03 1.3075e-04 1.8381e-04 7.0463e+00 1.8289e+00
|
||||
148 1.7920e-03 1.4387e-03 1.2983e-04 1.8379e-04 7.0462e+00 1.8289e+00
|
||||
149 1.7924e-03 1.4387e-03 1.2903e-04 1.8377e-04 7.0462e+00 1.8289e+00
|
||||
150 1.7928e-03 1.4386e-03 1.2831e-04 1.8376e-04 7.0462e+00 1.8289e+00
|
||||
151 1.7931e-03 1.4385e-03 1.2768e-04 1.8375e-04 7.0462e+00 1.8289e+00
|
||||
152 1.7935e-03 1.4384e-03 1.2711e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
153 1.7938e-03 1.4383e-03 1.2661e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
154 1.7941e-03 1.4382e-03 1.2617e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
155 1.7944e-03 1.4381e-03 1.2578e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
156 1.7947e-03 1.4380e-03 1.2543e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
157 1.7950e-03 1.4378e-03 1.2512e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
158 1.7953e-03 1.4377e-03 1.2484e-04 1.8369e-04 7.0461e+00 1.8289e+00
|
||||
159 1.7955e-03 1.4376e-03 1.2460e-04 1.8369e-04 7.0461e+00 1.8289e+00
|
||||
160 1.7958e-03 1.4374e-03 1.2438e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
161 1.7960e-03 1.4372e-03 1.2419e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
162 1.7963e-03 1.4371e-03 1.2402e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
163 1.7965e-03 1.4369e-03 1.2387e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
164 1.7967e-03 1.4368e-03 1.2374e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
165 1.7970e-03 1.4366e-03 1.2362e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
166 1.7972e-03 1.4364e-03 1.2351e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
167 1.7974e-03 1.4363e-03 1.2342e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
168 1.7976e-03 1.4361e-03 1.2334e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
169 1.7978e-03 1.4359e-03 1.2326e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
170 1.7980e-03 1.4358e-03 1.2320e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
171 1.7982e-03 1.4356e-03 1.2314e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
172 1.7984e-03 1.4354e-03 1.2309e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
173 1.7986e-03 1.4353e-03 1.2304e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
174 1.7988e-03 1.4351e-03 1.2300e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
175 1.7990e-03 1.4349e-03 1.2297e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
176 1.7992e-03 1.4348e-03 1.2294e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
177 1.7993e-03 1.4346e-03 1.2291e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
178 1.7995e-03 1.4344e-03 1.2288e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
179 1.7997e-03 1.4343e-03 1.2286e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
180 1.7999e-03 1.4341e-03 1.2284e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
181 1.8001e-03 1.4339e-03 1.2282e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
182 1.8002e-03 1.4338e-03 1.2281e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
183 1.8004e-03 1.4336e-03 1.2279e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
184 1.8006e-03 1.4335e-03 1.2278e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
185 1.8008e-03 1.4333e-03 1.2277e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
186 1.8009e-03 1.4331e-03 1.2276e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
187 1.8011e-03 1.4330e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
188 1.8013e-03 1.4328e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
189 1.8014e-03 1.4327e-03 1.2274e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
190 1.8016e-03 1.4325e-03 1.2273e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
191 1.8018e-03 1.4324e-03 1.2273e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
192 1.8019e-03 1.4322e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
193 1.8021e-03 1.4321e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
194 1.8022e-03 1.4319e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
195 1.8024e-03 1.4318e-03 1.2271e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
196 1.8025e-03 1.4316e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
197 1.8027e-03 1.4315e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
198 1.8028e-03 1.4313e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
199 1.8030e-03 1.4312e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
200 1.8032e-03 1.4310e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
@ -84,14 +84,14 @@ Initial solution 1.
|
||||
Volume (L) = 1.00300
|
||||
Viscosity (mPa s) = 0.89038
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 4.851e-04
|
||||
Ionic strength (mol/kgw) = 4.855e-04
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 7.825e-04
|
||||
Total CO2 (mol/kg) = 7.825e-04
|
||||
Total carbon (mol/kg) = 7.828e-04
|
||||
Total CO2 (mol/kg) = 7.828e-04
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
|
||||
Iterations = 7
|
||||
Iterations = 8
|
||||
Total H = 1.110139e+02
|
||||
Total O = 5.550924e+01
|
||||
|
||||
@ -103,24 +103,24 @@ Initial solution 1.
|
||||
H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
|
||||
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 7.825e-04
|
||||
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 34.43
|
||||
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.57
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
|
||||
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73
|
||||
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -3.97
|
||||
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03
|
||||
(CO2)2 3.783e-09 3.783e-09 -8.422 -8.422 0.000 68.87
|
||||
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
C(4) 7.828e-04
|
||||
CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43
|
||||
HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57
|
||||
MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
|
||||
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
|
||||
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
|
||||
CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97
|
||||
KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
|
||||
(CO2)2 3.787e-09 3.788e-09 -8.422 -8.422 0.000 68.87
|
||||
CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
|
||||
MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
|
||||
Ca 7.800e-05
|
||||
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50
|
||||
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
|
||||
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0)
|
||||
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0)
|
||||
Ca+2 7.780e-05 7.042e-05 -4.109 -4.152 -0.043 -18.17
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
|
||||
CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
|
||||
CaOH+ 1.899e-11 1.852e-11 -10.721 -10.732 -0.011 (0)
|
||||
CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
|
||||
Cl 1.400e-05
|
||||
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
|
||||
HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0)
|
||||
@ -128,31 +128,31 @@ H(0) 5.636e-24
|
||||
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61
|
||||
K 2.800e-05
|
||||
K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00
|
||||
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03
|
||||
KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
|
||||
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
|
||||
Mg 2.900e-05
|
||||
Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86
|
||||
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
|
||||
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
|
||||
MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
|
||||
MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
|
||||
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
Na 1.340e-04
|
||||
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
|
||||
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73
|
||||
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
|
||||
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
|
||||
NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
|
||||
S(6) 1.000e-05
|
||||
SO4-2 9.805e-06 8.873e-06 -5.009 -5.052 -0.043 15.25
|
||||
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50
|
||||
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92
|
||||
SO4-2 9.805e-06 8.872e-06 -5.009 -5.052 -0.043 15.25
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
|
||||
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
|
||||
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
|
||||
HSO4- 5.582e-10 5.443e-10 -9.253 -9.264 -0.011 40.27
|
||||
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0)
|
||||
HSO4- 5.581e-10 5.443e-10 -9.253 -9.264 -0.011 40.27
|
||||
Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
|
||||
Si 2.730e-04
|
||||
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08
|
||||
H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96
|
||||
@ -162,7 +162,7 @@ Si 2.730e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -4.93 -9.21 -4.28 CaSO4
|
||||
Anhydrite -4.93 -9.20 -4.28 CaSO4
|
||||
Aragonite -3.44 -11.78 -8.34 CaCO3
|
||||
Arcanite -12.30 -14.18 -1.88 K2SO4
|
||||
Calcite -3.30 -11.78 -8.48 CaCO3
|
||||
@ -171,7 +171,7 @@ Si 2.730e-04
|
||||
CO2(g) -1.87 -3.34 -1.47 CO2
|
||||
Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O
|
||||
Gypsum -4.62 -9.21 -4.58 CaSO4:2H2O
|
||||
Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O
|
||||
H2(g) -20.45 -23.55 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -10.32 -8.75 1.57 NaCl
|
||||
@ -214,14 +214,14 @@ Initial solution 2.
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89080
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.313e-03
|
||||
Ionic strength (mol/kgw) = 1.317e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 1.199e-03
|
||||
Total CO2 (mol/kg) = 1.199e-03
|
||||
Total carbon (mol/kg) = 1.200e-03
|
||||
Total CO2 (mol/kg) = 1.200e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
|
||||
Iterations = 6 (13 overall)
|
||||
Iterations = 6 (14 overall)
|
||||
Total H = 1.110150e+02
|
||||
Total O = 5.551125e+01
|
||||
|
||||
@ -231,26 +231,26 @@ Initial solution 2.
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00
|
||||
OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
|
||||
OH- 6.653e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 1.199e-03
|
||||
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.58
|
||||
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43
|
||||
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48
|
||||
CO3-2 2.971e-07 2.532e-07 -6.527 -6.597 -0.069 -3.92
|
||||
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73
|
||||
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
(CO2)2 1.706e-09 1.707e-09 -8.768 -8.768 0.000 68.87
|
||||
C(4) 1.200e-03
|
||||
HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58
|
||||
CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43
|
||||
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
|
||||
MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92
|
||||
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
|
||||
CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
|
||||
KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
|
||||
MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
(CO2)2 1.713e-09 1.713e-09 -8.766 -8.766 0.000 68.87
|
||||
Ca 2.600e-04
|
||||
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13
|
||||
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50
|
||||
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0)
|
||||
CaHSO4+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0)
|
||||
Ca+2 2.584e-04 2.201e-04 -3.588 -3.657 -0.070 -18.13
|
||||
CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
|
||||
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
|
||||
CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
|
||||
CaOH+ 2.400e-10 2.305e-10 -9.620 -9.637 -0.018 (0)
|
||||
CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
|
||||
Cl 3.000e-05
|
||||
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08
|
||||
HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0)
|
||||
@ -258,48 +258,48 @@ H(0) 3.555e-25
|
||||
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61
|
||||
K 4.000e-05
|
||||
K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01
|
||||
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03
|
||||
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
|
||||
KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
Mg 7.101e-05
|
||||
Mg+2 7.005e-05 5.974e-05 -4.155 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48
|
||||
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.369e-09 -8.847 -8.864 -0.017 (0)
|
||||
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36
|
||||
Mg+2 7.005e-05 5.973e-05 -4.155 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
|
||||
MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.368e-09 -8.847 -8.864 -0.017 (0)
|
||||
Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
|
||||
Na 2.590e-04
|
||||
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47
|
||||
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73
|
||||
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41
|
||||
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
|
||||
NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
|
||||
NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
|
||||
S(6) 2.500e-05
|
||||
SO4-2 2.380e-05 2.026e-05 -4.623 -4.693 -0.070 15.76
|
||||
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50
|
||||
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92
|
||||
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41
|
||||
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
HSO4- 3.252e-10 3.123e-10 -9.488 -9.505 -0.018 40.28
|
||||
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36
|
||||
CaHSO4+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0)
|
||||
SO4-2 2.380e-05 2.026e-05 -4.624 -4.693 -0.070 15.76
|
||||
CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
|
||||
MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
|
||||
NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
|
||||
KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
HSO4- 3.251e-10 3.121e-10 -9.488 -9.506 -0.018 40.28
|
||||
Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
|
||||
CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
|
||||
Si 4.100e-04
|
||||
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08
|
||||
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
|
||||
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.069 (0)
|
||||
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.070 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -4.08 -8.35 -4.28 CaSO4
|
||||
Aragonite -1.92 -10.26 -8.34 CaCO3
|
||||
Anhydrite -4.07 -8.35 -4.28 CaSO4
|
||||
Aragonite -1.92 -10.25 -8.34 CaCO3
|
||||
Arcanite -11.65 -13.53 -1.88 K2SO4
|
||||
Calcite -1.78 -10.26 -8.48 CaCO3
|
||||
Calcite -1.77 -10.25 -8.48 CaCO3
|
||||
Chalcedony 0.16 -3.39 -3.55 SiO2
|
||||
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.05 -3.52 -1.47 CO2
|
||||
Dolomite -3.99 -21.08 -17.08 CaMg(CO3)2
|
||||
CO2(g) -2.05 -3.51 -1.47 CO2
|
||||
Dolomite -3.99 -21.07 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O
|
||||
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
|
||||
H2(g) -21.65 -24.75 -3.10 H2
|
||||
@ -333,7 +333,7 @@ Solution 1:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
|
||||
C(4) 7.828e-04 + 0.000e+00 = 7.828e-04
|
||||
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
|
||||
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -352,7 +352,7 @@ Solution 2:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
|
||||
C(4) 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
Ca 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -373,8 +373,8 @@ Phase mole transfers: Minimum Maximum Formula
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , )
|
||||
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , )
|
||||
CO2(g) 3.006e-04 2.363e-04 3.656e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.78)
|
||||
CO2(g) 3.009e-04 2.365e-04 3.659e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.77)
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
|
||||
|
||||
@ -395,7 +395,7 @@ Solution 1:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
|
||||
C(4) 7.828e-04 + 0.000e+00 = 7.828e-04
|
||||
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
|
||||
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -414,7 +414,7 @@ Solution 2:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
|
||||
C(4) 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
Ca 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -434,8 +434,8 @@ Phase mole transfers: Minimum Maximum Formula
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , )
|
||||
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.78)
|
||||
CO2(g) 3.143e-04 2.493e-04 3.798e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.77)
|
||||
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16)
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
|
||||
|
||||
@ -14,6 +14,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
MEAN_GAMMAS
|
||||
END
|
||||
------------------------------------
|
||||
Reading input data for simulation 1.
|
||||
@ -90,7 +91,7 @@ Initial solution 1. Black Sea water
|
||||
|
||||
pH = 8.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 29775
|
||||
Specific Conductance (µS/cm, 25°C) = 29777
|
||||
Density (g/cm³) = 1.01091
|
||||
Volume (L) = 1.00789
|
||||
Viscosity (mPa s) = 0.92658
|
||||
@ -212,7 +213,7 @@ Initial solution 2. Composition during halite precipitation
|
||||
|
||||
pH = 5.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 149839
|
||||
Specific Conductance (µS/cm, 25°C) = 150248
|
||||
Density (g/cm³) = 1.27237
|
||||
Volume (L) = 1.13163
|
||||
Viscosity (mPa s) = 3.75438
|
||||
|
||||
@ -14,6 +14,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
MEAN_GAMMAS
|
||||
END
|
||||
------------------------------------
|
||||
Reading input data for simulation 1.
|
||||
@ -92,7 +93,7 @@ Initial solution 1. Black Sea water
|
||||
|
||||
pH = 8.000
|
||||
pe = 4.000
|
||||
Specific Conductance (µS/cm, 25°C) = 29775
|
||||
Specific Conductance (µS/cm, 25°C) = 29777
|
||||
Density (g/cm³) = 1.01091
|
||||
Volume (L) = 1.00789
|
||||
Viscosity (mPa s) = 0.92658
|
||||
@ -255,7 +256,7 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 8.000 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 29775
|
||||
Specific Conductance (µS/cm, 25°C) = 29777
|
||||
Density (g/cm³) = 1.01091
|
||||
Volume (L) = 1.00789
|
||||
Viscosity (mPa s) = 0.92658
|
||||
@ -414,7 +415,7 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.848 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 73054
|
||||
Specific Conductance (µS/cm, 25°C) = 73063
|
||||
Density (g/cm³) = 1.03527
|
||||
Volume (L) = 0.35767
|
||||
Viscosity (mPa s) = 0.99372
|
||||
@ -573,7 +574,7 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.793 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 88022
|
||||
Specific Conductance (µS/cm, 25°C) = 88035
|
||||
Density (g/cm³) = 1.04464
|
||||
Volume (L) = 0.28547
|
||||
Viscosity (mPa s) = 1.02215
|
||||
@ -732,7 +733,7 @@ Polyhalite -5.93 -19.68 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.710 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 110997
|
||||
Specific Conductance (µS/cm, 25°C) = 111017
|
||||
Density (g/cm³) = 1.06016
|
||||
Volume (L) = 0.21331
|
||||
Viscosity (mPa s) = 1.07296
|
||||
@ -891,7 +892,7 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.595 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 149856
|
||||
Specific Conductance (µS/cm, 25°C) = 149892
|
||||
Density (g/cm³) = 1.09018
|
||||
Volume (L) = 0.14120
|
||||
Viscosity (mPa s) = 1.18635
|
||||
@ -1050,7 +1051,7 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.573 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 163778
|
||||
Specific Conductance (µS/cm, 25°C) = 163822
|
||||
Density (g/cm³) = 1.10237
|
||||
Volume (L) = 0.12317
|
||||
Viscosity (mPa s) = 1.23905
|
||||
@ -1209,7 +1210,7 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.546 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 180007
|
||||
Specific Conductance (µS/cm, 25°C) = 180062
|
||||
Density (g/cm³) = 1.11850
|
||||
Volume (L) = 0.10515
|
||||
Viscosity (mPa s) = 1.31607
|
||||
@ -1368,7 +1369,7 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.508 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 198384
|
||||
Specific Conductance (µS/cm, 25°C) = 198454
|
||||
Density (g/cm³) = 1.14090
|
||||
Volume (L) = 0.08716
|
||||
Viscosity (mPa s) = 1.43886
|
||||
@ -1527,7 +1528,7 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.454 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 216929
|
||||
Specific Conductance (µS/cm, 25°C) = 217024
|
||||
Density (g/cm³) = 1.17419
|
||||
Volume (L) = 0.06922
|
||||
Viscosity (mPa s) = 1.66307
|
||||
@ -1686,7 +1687,7 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.359 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 226117
|
||||
Specific Conductance (µS/cm, 25°C) = 226248
|
||||
Density (g/cm³) = 1.21418
|
||||
Volume (L) = 0.05088
|
||||
Viscosity (mPa s) = 2.03087
|
||||
@ -1845,7 +1846,7 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.364 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 214023
|
||||
Specific Conductance (µS/cm, 25°C) = 214242
|
||||
Density (g/cm³) = 1.21997
|
||||
Volume (L) = 0.03050
|
||||
Viscosity (mPa s) = 2.19817
|
||||
@ -2004,7 +2005,7 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.367 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 207654
|
||||
Specific Conductance (µS/cm, 25°C) = 207916
|
||||
Density (g/cm³) = 1.22336
|
||||
Volume (L) = 0.02541
|
||||
Viscosity (mPa s) = 2.30055
|
||||
@ -2163,7 +2164,7 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.371 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 197529
|
||||
Specific Conductance (µS/cm, 25°C) = 197853
|
||||
Density (g/cm³) = 1.22919
|
||||
Volume (L) = 0.02033
|
||||
Viscosity (mPa s) = 2.48495
|
||||
@ -2322,7 +2323,7 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.375 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 185821
|
||||
Specific Conductance (µS/cm, 25°C) = 186206
|
||||
Density (g/cm³) = 1.23656
|
||||
Volume (L) = 0.01675
|
||||
Viscosity (mPa s) = 2.73450
|
||||
@ -2481,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.377 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 181272
|
||||
Specific Conductance (µS/cm, 25°C) = 181678
|
||||
Density (g/cm³) = 1.23961
|
||||
Volume (L) = 0.01574
|
||||
Viscosity (mPa s) = 2.84317
|
||||
@ -2640,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00
|
||||
|
||||
pH = 7.379 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 175925
|
||||
Specific Conductance (µS/cm, 25°C) = 176353
|
||||
Density (g/cm³) = 1.24332
|
||||
Volume (L) = 0.01472
|
||||
Viscosity (mPa s) = 2.98015
|
||||
@ -2799,7 +2800,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.746e-04 2.746e-04
|
||||
|
||||
pH = 7.379 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 169804
|
||||
Specific Conductance (µS/cm, 25°C) = 170258
|
||||
Density (g/cm³) = 1.24638
|
||||
Volume (L) = 0.01369
|
||||
Viscosity (mPa s) = 3.12540
|
||||
@ -2958,7 +2959,7 @@ Polyhalite 0.00 -13.74 -13.74 2.746e-04 7.008e-04 4.262e-04
|
||||
|
||||
pH = 7.378 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 162768
|
||||
Specific Conductance (µS/cm, 25°C) = 163252
|
||||
Density (g/cm³) = 1.24930
|
||||
Volume (L) = 0.01264
|
||||
Viscosity (mPa s) = 3.29229
|
||||
@ -3117,7 +3118,7 @@ Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
|
||||
|
||||
pH = 7.377 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 157939
|
||||
Specific Conductance (µS/cm, 25°C) = 158442
|
||||
Density (g/cm³) = 1.25155
|
||||
Volume (L) = 0.01201
|
||||
Viscosity (mPa s) = 3.41850
|
||||
@ -3276,7 +3277,7 @@ Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
|
||||
|
||||
pH = 7.376 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 152554
|
||||
Specific Conductance (µS/cm, 25°C) = 153077
|
||||
Density (g/cm³) = 1.25429
|
||||
Volume (L) = 0.01139
|
||||
Viscosity (mPa s) = 3.57162
|
||||
@ -3435,7 +3436,7 @@ Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04
|
||||
|
||||
pH = 7.378 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 146876
|
||||
Specific Conductance (µS/cm, 25°C) = 147417
|
||||
Density (g/cm³) = 1.25755
|
||||
Volume (L) = 0.01081
|
||||
Viscosity (mPa s) = 3.74839
|
||||
@ -3594,7 +3595,7 @@ Polyhalite 0.00 -13.74 -13.74 1.369e-03 1.563e-03 1.942e-04
|
||||
|
||||
pH = 7.386 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 139761
|
||||
Specific Conductance (µS/cm, 25°C) = 140319
|
||||
Density (g/cm³) = 1.26219
|
||||
Volume (L) = 0.01020
|
||||
Viscosity (mPa s) = 3.99402
|
||||
@ -3753,7 +3754,7 @@ Polyhalite 0.00 -13.74 -13.74 1.563e-03 1.740e-03 1.768e-04
|
||||
|
||||
pH = 7.394 Charge balance
|
||||
pe = 4.000 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 131643
|
||||
Specific Conductance (µS/cm, 25°C) = 132216
|
||||
Density (g/cm³) = 1.26804
|
||||
Volume (L) = 0.00958
|
||||
Viscosity (mPa s) = 4.31212
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
@ -118,18 +118,18 @@ Initial solution 1. Recharge number 3
|
||||
|
||||
pH = 7.550
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 10°C) = 277
|
||||
Specific Conductance (µS/cm, 10°C) = 278
|
||||
Density (g/cm³) = 0.99999
|
||||
Volume (L) = 1.00035
|
||||
Viscosity (mPa s) = 1.31356
|
||||
Viscosity (mPa s) = 1.31358
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 6.542e-03
|
||||
Ionic strength (mol/kgw) = 6.588e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.016e-03
|
||||
Total alkalinity (eq/kg) = 4.014e-03
|
||||
Total CO2 (mol/kg) = 4.300e-03
|
||||
Temperature (°C) = 9.90
|
||||
Electrical balance (eq) = 1.063e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
|
||||
Electrical balance (eq) = 1.077e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
|
||||
Iterations = 8
|
||||
Total H = 1.110164e+02
|
||||
Total O = 5.551946e+01
|
||||
@ -143,95 +143,95 @@ Initial solution 1. Recharge number 3
|
||||
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
|
||||
C(4) 4.300e-03
|
||||
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 22.89
|
||||
CO2 2.971e-04 2.974e-04 -3.527 -3.527 0.000 33.66
|
||||
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93
|
||||
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96
|
||||
CO3-2 5.765e-06 4.167e-06 -5.239 -5.380 -0.141 -6.10
|
||||
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66
|
||||
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0)
|
||||
NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86
|
||||
KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92
|
||||
(CO2)2 9.408e-10 9.423e-10 -9.026 -9.026 0.001 67.31
|
||||
HCO3- 3.951e-03 3.642e-03 -2.403 -2.439 -0.035 22.89
|
||||
CO2 2.987e-04 2.990e-04 -3.525 -3.524 0.000 33.66
|
||||
MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
|
||||
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
|
||||
CO3-2 5.802e-06 4.190e-06 -5.236 -5.378 -0.141 -6.10
|
||||
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
|
||||
MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
|
||||
FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
|
||||
NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
|
||||
KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
|
||||
(CO2)2 9.509e-10 9.523e-10 -9.022 -9.021 0.001 67.31
|
||||
Ca 1.200e-03
|
||||
Ca+2 1.152e-03 8.324e-04 -2.938 -3.080 -0.141 -18.31
|
||||
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96
|
||||
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78
|
||||
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66
|
||||
CaOH+ 5.328e-09 4.901e-09 -8.273 -8.310 -0.036 (0)
|
||||
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0)
|
||||
Ca+2 1.176e-03 8.486e-04 -2.930 -3.071 -0.142 -18.31
|
||||
CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
|
||||
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
|
||||
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
|
||||
CaOH+ 5.433e-09 4.996e-09 -8.265 -8.301 -0.036 (0)
|
||||
CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
|
||||
Cl 2.000e-05
|
||||
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40
|
||||
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
|
||||
HCl 1.948e-13 1.960e-13 -12.711 -12.708 0.003 (0)
|
||||
FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
|
||||
HCl 1.947e-13 1.960e-13 -12.711 -12.708 0.003 (0)
|
||||
Fe(2) 1.000e-06
|
||||
Fe+2 7.297e-07 5.298e-07 -6.137 -6.276 -0.139 -23.20
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0)
|
||||
FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09
|
||||
FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0)
|
||||
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
|
||||
Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0)
|
||||
FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0)
|
||||
Fe(OH)3- 1.678e-16 1.546e-16 -15.775 -15.811 -0.036 (0)
|
||||
Fe+2 7.288e-07 5.286e-07 -6.137 -6.277 -0.139 -23.19
|
||||
FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
|
||||
FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
|
||||
FeOH+ 1.962e-09 1.807e-09 -8.707 -8.743 -0.036 (0)
|
||||
FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
|
||||
Fe(OH)2 1.366e-13 1.368e-13 -12.865 -12.864 0.001 (0)
|
||||
FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
|
||||
Fe(OH)3- 1.674e-16 1.542e-16 -15.776 -15.812 -0.036 (0)
|
||||
H(0) 1.316e-18
|
||||
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 28.63
|
||||
H2 6.578e-19 6.588e-19 -18.182 -18.181 0.001 28.63
|
||||
K 2.000e-05
|
||||
K+ 1.995e-05 1.833e-05 -4.700 -4.737 -0.037 8.43
|
||||
KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38
|
||||
KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92
|
||||
K+ 1.995e-05 1.832e-05 -4.700 -4.737 -0.037 8.43
|
||||
KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
|
||||
KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
|
||||
Mg 1.010e-03
|
||||
Mg+2 9.648e-04 7.000e-04 -3.016 -3.155 -0.139 -21.10
|
||||
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93
|
||||
MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55
|
||||
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07
|
||||
MgOH+ 2.321e-08 2.144e-08 -7.634 -7.669 -0.034 (0)
|
||||
Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52
|
||||
Mg+2 9.647e-04 6.992e-04 -3.016 -3.155 -0.140 -21.10
|
||||
MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
|
||||
MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
|
||||
MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
|
||||
MgOH+ 2.319e-08 2.142e-08 -7.635 -7.669 -0.034 (0)
|
||||
Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
|
||||
Na 2.000e-05
|
||||
Na+ 1.994e-05 1.836e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86
|
||||
NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98
|
||||
NaOH 1.896e-22 1.899e-22 -21.722 -21.721 0.001 (0)
|
||||
Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
|
||||
NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
|
||||
NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
|
||||
S(6) 1.600e-04
|
||||
SO4-2 1.351e-04 9.732e-05 -3.869 -4.012 -0.143 14.48
|
||||
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78
|
||||
MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55
|
||||
KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38
|
||||
NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98
|
||||
Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52
|
||||
FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09
|
||||
HSO4- 2.131e-10 1.960e-10 -9.671 -9.708 -0.036 38.92
|
||||
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0)
|
||||
FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0)
|
||||
SO4-2 1.350e-04 9.710e-05 -3.870 -4.013 -0.143 14.49
|
||||
CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
|
||||
MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
|
||||
KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
|
||||
NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
|
||||
Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
|
||||
FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
|
||||
HSO4- 2.127e-10 1.956e-10 -9.672 -9.709 -0.036 38.92
|
||||
CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
|
||||
FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(283 K, 1 atm)
|
||||
|
||||
Anhydrite -2.97 -7.09 -4.12 CaSO4
|
||||
Aragonite -0.20 -8.46 -8.25 CaCO3
|
||||
Arcanite -11.37 -13.49 -2.11 K2SO4
|
||||
Calcite -0.06 -8.46 -8.40 CaCO3
|
||||
CH2O -33.73 -33.73 0.00 CH2O
|
||||
CO2(g) -2.26 -3.53 -1.27 CO2
|
||||
Dolomite -0.11 -16.99 -16.88 CaMg(CO3)2
|
||||
Epsomite -5.33 -7.17 -1.83 MgSO4:7H2O
|
||||
Gypsum -2.49 -7.09 -4.60 CaSO4:2H2O
|
||||
Anhydrite -2.96 -7.08 -4.12 CaSO4
|
||||
Aragonite -0.19 -8.45 -8.25 CaCO3
|
||||
Arcanite -11.38 -13.49 -2.11 K2SO4
|
||||
Calcite -0.05 -8.45 -8.40 CaCO3
|
||||
CH2O -33.72 -33.72 0.00 CH2O
|
||||
CO2(g) -2.26 -3.52 -1.27 CO2
|
||||
Dolomite -0.10 -16.98 -16.88 CaMg(CO3)2
|
||||
Epsomite -5.34 -7.17 -1.83 MgSO4:7H2O
|
||||
Gypsum -2.49 -7.08 -4.60 CaSO4:2H2O
|
||||
H2(g) -15.13 -18.18 -3.05 H2
|
||||
H2O(g) -1.91 -0.00 1.91 H2O
|
||||
Halite -11.03 -9.47 1.56 NaCl
|
||||
Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O
|
||||
Kieserite -5.85 -7.17 -1.32 MgSO4:H2O
|
||||
Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O
|
||||
Mirabilite -11.51 -13.48 -1.97 Na2SO4:10H2O
|
||||
Mirabilite -11.51 -13.49 -1.97 Na2SO4:10H2O
|
||||
O2(g) -58.39 -61.15 -2.76 O2
|
||||
Siderite -0.86 -11.66 -10.79 FeCO3
|
||||
Siderite -0.86 -11.65 -10.79 FeCO3
|
||||
Sylvite -9.47 -9.47 0.00 KCl
|
||||
Thenardite -13.26 -13.48 -0.23 Na2SO4
|
||||
Thenardite -13.26 -13.49 -0.23 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -256,21 +256,21 @@ Initial solution 2. Mysse
|
||||
|
||||
pH = 6.610
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 63°C) = 10510
|
||||
Density (g/cm³) = 0.98523
|
||||
Volume (L) = 1.01939
|
||||
Viscosity (mPa s) = 0.45611
|
||||
Specific Conductance (µS/cm, 63°C) = 10507
|
||||
Density (g/cm³) = 0.98520
|
||||
Volume (L) = 1.01942
|
||||
Viscosity (mPa s) = 0.45609
|
||||
Activity of water = 0.999
|
||||
Ionic strength (mol/kgw) = 7.104e-02
|
||||
Ionic strength (mol/kgw) = 7.101e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.286e-03
|
||||
Total alkalinity (eq/kg) = 5.294e-03
|
||||
Total CO2 (mol/kg) = 6.870e-03
|
||||
Temperature (°C) = 63.00
|
||||
Electrical balance (eq) = 3.215e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.23
|
||||
Electrical balance (eq) = 3.207e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.22
|
||||
Iterations = 8 (16 overall)
|
||||
Total H = 1.110179e+02
|
||||
Total O = 5.560451e+01
|
||||
Total O = 5.560452e+01
|
||||
|
||||
---------------------------------Redox couples---------------------------------
|
||||
|
||||
@ -287,91 +287,91 @@ Initial solution 2. Mysse
|
||||
H+ 2.959e-07 2.455e-07 -6.529 -6.610 -0.081 0.00
|
||||
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
|
||||
C(4) 6.870e-03
|
||||
HCO3- 4.595e-03 3.660e-03 -2.338 -2.436 -0.099 25.86
|
||||
CO2 1.753e-03 1.772e-03 -2.756 -2.751 0.005 36.36
|
||||
CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66
|
||||
NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20
|
||||
MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10
|
||||
CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51
|
||||
KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50
|
||||
CO3-2 2.699e-06 1.086e-06 -5.569 -5.964 -0.395 -2.58
|
||||
MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09
|
||||
(CO2)2 1.559e-07 1.584e-07 -6.807 -6.800 0.007 72.72
|
||||
FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0)
|
||||
FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0)
|
||||
HCO3- 4.575e-03 3.644e-03 -2.340 -2.438 -0.099 25.86
|
||||
CO2 1.746e-03 1.765e-03 -2.758 -2.753 0.005 36.36
|
||||
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
|
||||
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
|
||||
MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
|
||||
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
|
||||
KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
|
||||
CO3-2 2.687e-06 1.082e-06 -5.571 -5.966 -0.395 -2.58
|
||||
MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
|
||||
(CO2)2 1.545e-07 1.571e-07 -6.811 -6.804 0.007 72.72
|
||||
FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
|
||||
FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
|
||||
Ca 1.128e-02
|
||||
Ca+2 7.843e-03 3.171e-03 -2.106 -2.499 -0.393 -17.58
|
||||
CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42
|
||||
CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66
|
||||
CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51
|
||||
CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0)
|
||||
CaOH+ 2.719e-09 2.141e-09 -8.566 -8.669 -0.104 (0)
|
||||
Ca+2 7.821e-03 3.163e-03 -2.107 -2.500 -0.393 -17.58
|
||||
CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
|
||||
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
|
||||
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
|
||||
CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
|
||||
CaOH+ 2.712e-09 2.135e-09 -8.567 -8.671 -0.104 (0)
|
||||
Cl 1.785e-02
|
||||
Cl- 1.785e-02 1.388e-02 -1.748 -1.858 -0.109 18.29
|
||||
HCl 8.646e-10 9.269e-10 -9.063 -9.033 0.030 (0)
|
||||
FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0)
|
||||
FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
|
||||
Fe(2) 4.000e-07
|
||||
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
|
||||
Fe+2 5.995e-08 2.491e-08 -7.222 -7.604 -0.381 -19.95
|
||||
FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81
|
||||
FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0)
|
||||
Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0)
|
||||
FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0)
|
||||
FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0)
|
||||
FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
|
||||
FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
|
||||
Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
|
||||
FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
|
||||
FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
|
||||
FeOH+ 5.020e-10 3.976e-10 -9.299 -9.401 -0.101 (0)
|
||||
Fe(OH)2 2.540e-13 2.582e-13 -12.595 -12.588 0.007 (0)
|
||||
FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0)
|
||||
FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
|
||||
Fe(OH)3- 6.860e-17 5.434e-17 -16.164 -16.265 -0.101 (0)
|
||||
H(0) 1.219e-09
|
||||
H2 6.097e-10 6.198e-10 -9.215 -9.208 0.007 28.58
|
||||
H2 6.097e-10 6.197e-10 -9.215 -9.208 0.007 28.58
|
||||
K 2.540e-03
|
||||
K+ 2.340e-03 1.814e-03 -2.631 -2.741 -0.111 10.01
|
||||
KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45
|
||||
KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50
|
||||
K+ 2.339e-03 1.814e-03 -2.631 -2.741 -0.110 10.01
|
||||
KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
|
||||
KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
|
||||
Mg 4.540e-03
|
||||
MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04
|
||||
Mg+2 1.986e-03 8.303e-04 -2.702 -3.081 -0.379 -22.49
|
||||
MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10
|
||||
Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89
|
||||
MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09
|
||||
MgOH+ 3.185e-07 2.573e-07 -6.497 -6.590 -0.093 (0)
|
||||
MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
|
||||
Mg+2 1.985e-03 8.301e-04 -2.702 -3.081 -0.379 -22.49
|
||||
MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
|
||||
Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
|
||||
MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
|
||||
MgOH+ 3.184e-07 2.572e-07 -6.497 -6.590 -0.093 (0)
|
||||
Na 3.189e-02
|
||||
Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09
|
||||
NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67
|
||||
NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20
|
||||
NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
|
||||
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
|
||||
NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.096 -63.089 0.007 32.51
|
||||
O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51
|
||||
S(-2) 2.600e-04
|
||||
HS- 1.480e-04 1.145e-04 -3.830 -3.941 -0.112 21.38
|
||||
H2S 1.114e-04 1.132e-04 -3.953 -3.946 0.007 42.59
|
||||
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
|
||||
Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0)
|
||||
S-2 1.440e-09 5.667e-10 -8.842 -9.247 -0.405 (0)
|
||||
Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
|
||||
S-2 1.440e-09 5.668e-10 -8.842 -9.247 -0.405 (0)
|
||||
(H2S)2 1.351e-09 1.373e-09 -8.869 -8.862 0.007 27.88
|
||||
S(6) 1.986e-02
|
||||
SO4-2 1.136e-02 4.441e-03 -1.945 -2.353 -0.408 23.91
|
||||
CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42
|
||||
NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67
|
||||
MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04
|
||||
KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45
|
||||
Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89
|
||||
HSO4- 3.436e-07 2.705e-07 -6.464 -6.568 -0.104 41.70
|
||||
FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81
|
||||
CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0)
|
||||
FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0)
|
||||
SO4-2 1.136e-02 4.443e-03 -1.945 -2.352 -0.408 23.91
|
||||
CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
|
||||
NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
|
||||
MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
|
||||
KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
|
||||
Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
|
||||
HSO4- 3.438e-07 2.706e-07 -6.464 -6.568 -0.104 41.70
|
||||
FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
|
||||
CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
|
||||
FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(336 K, 1 atm)
|
||||
|
||||
Anhydrite -0.11 -4.85 -4.75 CaSO4
|
||||
Aragonite 0.21 -8.46 -8.67 CaCO3
|
||||
Aragonite 0.20 -8.47 -8.67 CaCO3
|
||||
Arcanite -6.28 -7.84 -1.55 K2SO4
|
||||
Calcite 0.46 -8.46 -8.92 CaCO3
|
||||
CH2O -14.57 -14.57 0.00 CH2O
|
||||
Calcite 0.46 -8.47 -8.92 CaCO3
|
||||
CH2O -14.58 -14.58 0.00 CH2O
|
||||
CO2(g) -0.95 -2.75 -1.80 CO2
|
||||
Dolomite 0.55 -17.51 -18.06 CaMg(CO3)2
|
||||
Dolomite 0.54 -17.51 -18.06 CaMg(CO3)2
|
||||
Epsomite -3.94 -5.44 -1.50 MgSO4:7H2O
|
||||
FeS(ppt) -1.02 -4.93 -3.92 FeS
|
||||
Gypsum -0.19 -4.85 -4.66 CaSO4:2H2O
|
||||
@ -404,7 +404,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03
|
||||
Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -428,7 +428,7 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03
|
||||
Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
@ -438,7 +438,7 @@ Solution 2: Mysse
|
||||
H(0) 1.219e-09 + 0.000e+00 = 1.219e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.229e-03 = 3.066e-02
|
||||
Na 3.189e-02 + -1.221e-03 = 3.067e-02
|
||||
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
|
||||
@ -451,8 +451,8 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 0 = 3
|
||||
13C Calcite -1.5 + 0 = -1.5
|
||||
34S Anhydrite 13.5 + -0.715402 = 12.7846
|
||||
13C CH2O -25 + 3.93324 = -21.0668
|
||||
34S Anhydrite 13.5 + -0.70933 = 12.7907
|
||||
13C CH2O -25 + 3.88835 = -21.1116
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
Solution fractions: Minimum Maximum
|
||||
@ -460,24 +460,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 1.120e-02 1.022e-02 1.194e-02 CaMg(CO3)2 ( 1.06, 0.55)
|
||||
Calcite -2.404e-02 -2.597e-02 -2.113e-02 CaCO3 ( 0.46, 0.46)
|
||||
Anhydrite 2.293e-02 2.037e-02 2.378e-02 CaSO4 ( -2.35, -0.11)
|
||||
CH2O 4.222e-03 2.482e-03 5.808e-03 CH2O ( , )
|
||||
Goethite 9.866e-04 5.145e-04 1.418e-03 FeOOH ( , )
|
||||
Pyrite -9.872e-04 -1.417e-03 -5.162e-04 FeS2 ( , )
|
||||
MgX2 -7.666e-03 -8.591e-03 -6.972e-03 MgX2 ( , )
|
||||
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , )
|
||||
Dolomite 1.120e-02 1.022e-02 1.195e-02 CaMg(CO3)2 ( 1.07, 0.54)
|
||||
Calcite -2.404e-02 -2.597e-02 -2.112e-02 CaCO3 ( 0.47, 0.46)
|
||||
Anhydrite 2.292e-02 2.037e-02 2.378e-02 CaSO4 ( -2.34, -0.11)
|
||||
CH2O 4.214e-03 2.473e-03 5.798e-03 CH2O ( , )
|
||||
Goethite 9.845e-04 5.123e-04 1.415e-03 FeOOH ( , )
|
||||
Pyrite -9.851e-04 -1.414e-03 -5.140e-04 FeS2 ( , )
|
||||
MgX2 -7.669e-03 -8.595e-03 -6.972e-03 MgX2 ( , )
|
||||
NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 9.866e-04
|
||||
Fe(3) 9.845e-04
|
||||
H(0) -1.219e-09
|
||||
S(-2) -2.234e-03
|
||||
S(-2) -2.230e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 2.312e+00
|
||||
Sum of delta/uncertainty limit: 4.444e+00
|
||||
Sum of residuals (epsilons in documentation): 2.315e+00
|
||||
Sum of delta/uncertainty limit: 4.435e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -488,7 +488,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03
|
||||
Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -512,9 +512,9 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03
|
||||
Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + -3.424e-04 = 6.528e-03
|
||||
C(4) 6.870e-03 + -3.383e-04 = 6.532e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
|
||||
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
|
||||
@ -522,7 +522,7 @@ Solution 2: Mysse
|
||||
H(0) 1.219e-09 + 0.000e+00 = 1.219e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.229e-03 = 3.066e-02
|
||||
Na 3.189e-02 + -1.221e-03 = 3.067e-02
|
||||
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
|
||||
@ -535,7 +535,7 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 2 = 5
|
||||
13C Calcite -1.5 + -1 = -2.5
|
||||
34S Anhydrite 13.5 + -0.146098 = 13.3539
|
||||
34S Anhydrite 13.5 + -0.146689 = 13.3533
|
||||
13C CH2O -25 + 5 = -20
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
@ -544,24 +544,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 5.446e-03 4.995e-03 5.842e-03 CaMg(CO3)2 ( 1.06, 0.55)
|
||||
Calcite -1.215e-02 -1.337e-02 -1.066e-02 CaCO3 ( 0.46, 0.46)
|
||||
Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.35, -0.11)
|
||||
CH2O 3.488e-03 2.482e-03 4.302e-03 CH2O ( , )
|
||||
Goethite 7.909e-04 5.145e-04 1.016e-03 FeOOH ( , )
|
||||
Pyrite -7.915e-04 -1.015e-03 -5.162e-04 FeS2 ( , )
|
||||
Ca.75Mg.25X2 -7.666e-03 -8.591e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
|
||||
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , )
|
||||
Dolomite 5.447e-03 4.995e-03 5.843e-03 CaMg(CO3)2 ( 1.07, 0.54)
|
||||
Calcite -1.215e-02 -1.336e-02 -1.066e-02 CaCO3 ( 0.47, 0.46)
|
||||
Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.34, -0.11)
|
||||
CH2O 3.489e-03 2.473e-03 4.302e-03 CH2O ( , )
|
||||
Goethite 7.911e-04 5.123e-04 1.016e-03 FeOOH ( , )
|
||||
Pyrite -7.917e-04 -1.016e-03 -5.140e-04 FeS2 ( , )
|
||||
Ca.75Mg.25X2 -7.669e-03 -8.595e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
|
||||
NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 7.909e-04
|
||||
Fe(3) 7.911e-04
|
||||
H(0) -1.219e-09
|
||||
S(-2) -1.843e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 3.320e+00
|
||||
Sum of delta/uncertainty limit: 7.370e+00
|
||||
Sum of residuals (epsilons in documentation): 3.311e+00
|
||||
Sum of delta/uncertainty limit: 7.361e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -1,4 +1,4 @@
|
||||
Input file: ex21
|
||||
Input file: ../examples/ex21
|
||||
Output file: ex21.out
|
||||
Database file: ../database/phreeqc.dat
|
||||
|
||||
@ -939,7 +939,3 @@ Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns...
|
||||
|
||||
|
||||
END
|
||||
--------------------------------
|
||||
End of Run after 54.706 Seconds.
|
||||
--------------------------------
|
||||
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
@ -104,62 +104,62 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.645e-03
|
||||
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.953e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.622e-03 3.621e-03
|
||||
Ca 1.645e-03 1.645e-03
|
||||
C 3.576e-03 3.576e-03
|
||||
Ca 1.623e-03 1.623e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.297 Charge balance
|
||||
pe = -1.575 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 308
|
||||
pH = 7.295 Charge balance
|
||||
pe = -1.573 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 307
|
||||
Density (g/cm³) = 0.99726
|
||||
Volume (L) = 1.00300
|
||||
Viscosity (mPa s) = 0.89219
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 4.826e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.291e-03
|
||||
Total CO2 (mol/kg) = 3.622e-03
|
||||
Total alkalinity (eq/kg) = 3.245e-03
|
||||
Total CO2 (mol/kg) = 3.576e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.551511e+01
|
||||
Total O = 5.551499e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.162e-07 2.005e-07 -6.665 -6.698 -0.033 -4.07
|
||||
H+ 5.402e-08 5.048e-08 -7.267 -7.297 -0.029 0.00
|
||||
OH- 2.154e-07 1.998e-07 -6.667 -6.699 -0.033 -4.07
|
||||
H+ 5.421e-08 5.066e-08 -7.266 -7.295 -0.029 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.399e-25
|
||||
CH4 1.399e-25 1.401e-25 -24.854 -24.854 0.000 35.46
|
||||
C(4) 3.622e-03
|
||||
HCO3- 3.223e-03 2.998e-03 -2.492 -2.523 -0.032 24.62
|
||||
C(-4) 1.394e-25
|
||||
CH4 1.394e-25 1.396e-25 -24.856 -24.855 0.000 35.46
|
||||
C(4) 3.576e-03
|
||||
HCO3- 3.212e-03 2.987e-03 -2.493 -2.525 -0.032 24.62
|
||||
CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43
|
||||
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70
|
||||
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
|
||||
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
|
||||
CO3-2 3.723e-06 2.785e-06 -5.429 -5.555 -0.126 -3.79
|
||||
CO3-2 3.697e-06 2.765e-06 -5.432 -5.558 -0.126 -3.79
|
||||
(CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87
|
||||
Ca 1.645e-03
|
||||
Ca+2 1.591e-03 1.189e-03 -2.798 -2.925 -0.126 -18.02
|
||||
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70
|
||||
Ca 1.623e-03
|
||||
Ca+2 1.602e-03 1.198e-03 -2.795 -2.922 -0.126 -18.02
|
||||
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
|
||||
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.212e-09 3.909e-09 -8.376 -8.408 -0.032 (0)
|
||||
H(0) 5.089e-15
|
||||
H2 2.544e-15 2.547e-15 -14.594 -14.594 0.000 28.61
|
||||
CaOH+ 4.227e-09 3.923e-09 -8.374 -8.406 -0.032 (0)
|
||||
H(0) 5.084e-15
|
||||
H2 2.542e-15 2.545e-15 -14.595 -14.594 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.193 -63.192 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -167,7 +167,7 @@ O(0) 0.000e+00
|
||||
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -22.05 -24.85 -2.80 CH4
|
||||
CH4(g) -22.05 -24.86 -2.80 CH4
|
||||
CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
H2(g) -11.49 -14.59 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -229,48 +229,48 @@ Initial solution 2. Seawater
|
||||
|
||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (µS/cm, 25°C) = 52855
|
||||
Specific Conductance (µS/cm, 25°C) = 52856
|
||||
Density (g/cm³) = 1.02328
|
||||
Volume (L) = 1.01278
|
||||
Viscosity (mPa s) = 0.96027
|
||||
Viscosity (mPa s) = 0.96029
|
||||
Activity of water = 0.981
|
||||
Ionic strength (mol/kgw) = 6.704e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.240e-03
|
||||
Total CO2 (mol/kg) = 2.240e-03
|
||||
Total carbon (mol/kg) = 2.238e-03
|
||||
Total CO2 (mol/kg) = 2.238e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.967e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 8
|
||||
Total H = 1.110148e+02
|
||||
Total O = 5.563027e+01
|
||||
Total O = 5.563026e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64
|
||||
OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
|
||||
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
|
||||
C(4) 2.240e-03
|
||||
HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99
|
||||
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82
|
||||
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73
|
||||
MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09
|
||||
CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96
|
||||
CO3-2 3.835e-05 7.993e-06 -4.416 -5.097 -0.681 -0.52
|
||||
CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60
|
||||
CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43
|
||||
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03
|
||||
(CO2)2 3.166e-12 3.695e-12 -11.499 -11.432 0.067 68.87
|
||||
C(4) 2.238e-03
|
||||
HCO3- 1.541e-03 1.041e-03 -2.812 -2.982 -0.170 25.99
|
||||
MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
|
||||
CO3-2 3.889e-05 8.104e-06 -4.410 -5.091 -0.681 -0.52
|
||||
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
|
||||
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
|
||||
CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
|
||||
KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
|
||||
(CO2)2 3.254e-12 3.798e-12 -11.488 -11.420 0.067 68.87
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70
|
||||
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50
|
||||
CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96
|
||||
CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60
|
||||
CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0)
|
||||
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0)
|
||||
Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
|
||||
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
|
||||
CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
|
||||
HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
|
||||
@ -278,34 +278,34 @@ H(0) 5.521e-37
|
||||
H2 2.760e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
|
||||
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35
|
||||
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
|
||||
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92
|
||||
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82
|
||||
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91
|
||||
MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09
|
||||
Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
|
||||
MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
|
||||
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22
|
||||
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
|
||||
O(0) 6.622e-20
|
||||
O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41
|
||||
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50
|
||||
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35
|
||||
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
|
||||
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0)
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.205e-06 2.016e-06 -5.494 -5.695 -0.201 28.72
|
||||
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -313,15 +313,15 @@ Si 7.382e-05
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.09 -5.37 -4.28 CaSO4
|
||||
Aragonite 0.63 -7.70 -8.34 CaCO3
|
||||
Aragonite 0.64 -7.69 -8.34 CaCO3
|
||||
Arcanite -5.26 -7.14 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Calcite 0.79 -7.69 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.38 -4.85 -1.47 CO2
|
||||
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2
|
||||
Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.84 -1.47 CO2
|
||||
Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O
|
||||
Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
|
||||
H2(g) -33.39 -36.49 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.49 -0.92 1.57 NaCl
|
||||
@ -377,8 +377,8 @@ Mixture 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.207e-03 3.207e-03
|
||||
Ca 4.350e-03 4.350e-03
|
||||
C 3.175e-03 3.175e-03
|
||||
Ca 4.334e-03 4.334e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -388,93 +388,93 @@ Mixture 1.
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.326 Charge balance
|
||||
pe = 10.569 Adjusted to redox equilibrium
|
||||
pH = 7.327 Charge balance
|
||||
pe = 10.559 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18310
|
||||
Density (g/cm³) = 1.00527
|
||||
Density (g/cm³) = 1.00526
|
||||
Volume (L) = 1.00578
|
||||
Viscosity (mPa s) = 0.91372
|
||||
Viscosity (mPa s) = 0.91373
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.068e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.026e-03
|
||||
Total CO2 (mol/kg) = 3.207e-03
|
||||
Total alkalinity (eq/kg) = 2.994e-03
|
||||
Total CO2 (mol/kg) = 3.175e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 16
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554965e+01
|
||||
Total O = 5.554957e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.025e-07 2.130e-07 -6.519 -6.672 -0.152 -3.48
|
||||
H+ 5.933e-08 4.724e-08 -7.227 -7.326 -0.099 0.00
|
||||
OH- 3.031e-07 2.134e-07 -6.518 -6.671 -0.152 -3.48
|
||||
H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.465 -122.445 0.021 35.46
|
||||
C(4) 3.207e-03
|
||||
HCO3- 2.617e-03 1.947e-03 -2.582 -2.711 -0.128 25.15
|
||||
CO2 2.016e-04 2.080e-04 -3.696 -3.682 0.014 34.43
|
||||
NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73
|
||||
MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72
|
||||
CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88
|
||||
MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09
|
||||
CO3-2 6.305e-06 1.933e-06 -5.200 -5.714 -0.514 -2.19
|
||||
CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60
|
||||
KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03
|
||||
(CO2)2 7.575e-10 7.944e-10 -9.121 -9.100 0.021 68.87
|
||||
Ca 4.350e-03
|
||||
Ca+2 4.041e-03 1.287e-03 -2.394 -2.891 -0.497 -17.20
|
||||
CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50
|
||||
CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88
|
||||
CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60
|
||||
CaOH+ 6.031e-09 4.494e-09 -8.220 -8.347 -0.128 (0)
|
||||
CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0)
|
||||
CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46
|
||||
C(4) 3.175e-03
|
||||
HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15
|
||||
CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43
|
||||
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
|
||||
MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
|
||||
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
|
||||
MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
|
||||
CO3-2 6.313e-06 1.935e-06 -5.200 -5.713 -0.514 -2.19
|
||||
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
|
||||
KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
|
||||
(CO2)2 7.531e-10 7.898e-10 -9.123 -9.102 0.021 68.87
|
||||
Ca 4.334e-03
|
||||
Ca+2 4.054e-03 1.291e-03 -2.392 -2.889 -0.497 -17.20
|
||||
CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
|
||||
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
|
||||
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
|
||||
CaOH+ 6.063e-09 4.517e-09 -8.217 -8.345 -0.128 (0)
|
||||
CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46
|
||||
HCl 1.608e-09 1.970e-09 -8.794 -8.706 0.088 (0)
|
||||
H(0) 2.192e-39
|
||||
H2 1.096e-39 1.149e-39 -38.960 -38.940 0.021 28.61
|
||||
HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0)
|
||||
H(0) 2.284e-39
|
||||
H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03
|
||||
KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03
|
||||
KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
|
||||
KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.488e-02 5.065e-03 -1.827 -2.295 -0.468 -20.91
|
||||
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
|
||||
MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72
|
||||
Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64
|
||||
MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09
|
||||
MgOH+ 5.074e-07 3.870e-07 -6.295 -6.412 -0.118 (0)
|
||||
MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
|
||||
Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
|
||||
MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
|
||||
MgOH+ 5.085e-07 3.878e-07 -6.294 -6.411 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73
|
||||
NaOH 2.162e-18 2.267e-18 -17.665 -17.645 0.021 (0)
|
||||
O(0) 5.947e-15
|
||||
O2 2.973e-15 3.119e-15 -14.527 -14.506 0.021 30.40
|
||||
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
|
||||
NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0)
|
||||
O(0) 5.475e-15
|
||||
O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.590 -119.742 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.147 -120.126 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.804 -125.335 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.552 -241.531 0.021 30.09
|
||||
HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42
|
||||
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
|
||||
CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50
|
||||
KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03
|
||||
Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64
|
||||
HSO4- 7.433e-09 5.538e-09 -8.129 -8.257 -0.128 40.66
|
||||
CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0)
|
||||
CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
|
||||
KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
|
||||
Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
|
||||
HSO4- 7.416e-09 5.526e-09 -8.130 -8.258 -0.128 40.66
|
||||
CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.205e-05 2.312e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.008e-07 7.217e-08 -6.996 -7.142 -0.145 28.37
|
||||
H2SiO4-2 3.390e-13 1.039e-13 -12.470 -12.983 -0.514 (0)
|
||||
H3SiO4- 1.010e-07 7.231e-08 -6.996 -7.141 -0.145 28.37
|
||||
H2SiO4-2 3.404e-13 1.043e-13 -12.468 -12.982 -0.514 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -484,28 +484,28 @@ Si 2.215e-05
|
||||
Aragonite -0.27 -8.60 -8.34 CaCO3
|
||||
Arcanite -6.35 -8.23 -1.88 K2SO4
|
||||
Calcite -0.12 -8.60 -8.48 CaCO3
|
||||
CH4(g) -119.64 -122.44 -2.80 CH4
|
||||
CH4(g) -119.57 -122.37 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.41 27.79 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.21 -3.68 -1.47 CO2
|
||||
Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.84 -38.94 -3.10 H2
|
||||
H2(g) -35.82 -38.92 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.13 -127.07 -7.94 H2S
|
||||
H2S(g) -119.06 -127.00 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
|
||||
O2(g) -11.61 -14.51 -2.89 O2
|
||||
O2(g) -11.65 -14.54 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.22 -84.34 4.88 S
|
||||
Sulfur -89.17 -84.28 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.86 18.53 21.40 Mg3Si4O10(OH)2
|
||||
Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.56 -4.86 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
@ -545,111 +545,111 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.546e-02
|
||||
Dolomite -0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.807e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.541e-02
|
||||
Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.057e-03 3.057e-03
|
||||
Ca 1.201e-02 1.201e-02
|
||||
C 3.016e-03 3.016e-03
|
||||
Ca 1.196e-02 1.196e-02
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 8.713e-03 8.713e-03
|
||||
Mg 8.734e-03 8.734e-03
|
||||
Na 1.456e-01 1.456e-01
|
||||
S 8.777e-03 8.777e-03
|
||||
Si 2.215e-05 2.215e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.052 Charge balance
|
||||
pe = -1.301 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18477
|
||||
Density (g/cm³) = 1.00534
|
||||
Volume (L) = 1.00582
|
||||
Viscosity (mPa s) = 0.91245
|
||||
pH = 7.047 Charge balance
|
||||
pe = 10.927 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18479
|
||||
Density (g/cm³) = 1.00533
|
||||
Volume (L) = 1.00583
|
||||
Viscosity (mPa s) = 0.91249
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.070e-01
|
||||
Ionic strength (mol/kgw) = 2.071e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.725e-03
|
||||
Total CO2 (mol/kg) = 3.057e-03
|
||||
Total alkalinity (eq/kg) = 2.677e-03
|
||||
Total CO2 (mol/kg) = 3.016e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 16
|
||||
Iterations = 5
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554920e+01
|
||||
Total O = 5.554910e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.612e-07 1.135e-07 -6.793 -6.945 -0.152 -3.48
|
||||
H+ 1.113e-07 8.865e-08 -6.953 -7.052 -0.099 0.00
|
||||
OH- 1.593e-07 1.121e-07 -6.798 -6.950 -0.152 -3.48
|
||||
H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 8.153e-26
|
||||
CH4 8.153e-26 8.551e-26 -25.089 -25.068 0.021 35.46
|
||||
C(4) 3.057e-03
|
||||
HCO3- 2.370e-03 1.764e-03 -2.625 -2.754 -0.128 25.15
|
||||
CO2 3.427e-04 3.536e-04 -3.465 -3.451 0.014 34.43
|
||||
NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73
|
||||
CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88
|
||||
MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46
|
||||
C(4) 3.016e-03
|
||||
HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15
|
||||
CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43
|
||||
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
|
||||
MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
|
||||
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CO3-2 3.045e-06 9.330e-07 -5.516 -6.030 -0.514 -2.19
|
||||
CO3-2 3.038e-06 9.308e-07 -5.517 -6.031 -0.514 -2.19
|
||||
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03
|
||||
(CO2)2 2.188e-09 2.295e-09 -8.660 -8.639 0.021 68.87
|
||||
Ca 1.201e-02
|
||||
Ca+2 1.115e-02 3.550e-03 -1.953 -2.450 -0.497 -17.20
|
||||
CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50
|
||||
CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88
|
||||
KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
|
||||
(CO2)2 2.285e-09 2.397e-09 -8.641 -8.620 0.021 68.87
|
||||
Ca 1.196e-02
|
||||
Ca+2 1.118e-02 3.558e-03 -1.952 -2.449 -0.497 -17.20
|
||||
CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
|
||||
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 8.866e-09 6.606e-09 -8.052 -8.180 -0.128 (0)
|
||||
CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0)
|
||||
CaOH+ 8.781e-09 6.542e-09 -8.056 -8.184 -0.128 (0)
|
||||
CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 3.017e-09 3.696e-09 -8.520 -8.432 0.088 (0)
|
||||
H(0) 4.240e-15
|
||||
H2 2.120e-15 2.223e-15 -14.674 -14.653 0.021 28.61
|
||||
HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0)
|
||||
H(0) 1.519e-39
|
||||
H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03
|
||||
KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03
|
||||
Mg 8.713e-03
|
||||
Mg+2 7.837e-03 2.667e-03 -2.106 -2.574 -0.468 -20.91
|
||||
MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92
|
||||
MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72
|
||||
Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65
|
||||
KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
|
||||
KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
|
||||
Mg 8.734e-03
|
||||
Mg+2 7.855e-03 2.674e-03 -2.105 -2.573 -0.468 -20.91
|
||||
MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
|
||||
MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
|
||||
Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
|
||||
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
MgOH+ 1.424e-07 1.086e-07 -6.846 -6.964 -0.118 (0)
|
||||
MgOH+ 1.410e-07 1.076e-07 -6.851 -6.968 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72
|
||||
NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73
|
||||
NaOH 1.151e-18 1.208e-18 -17.939 -17.918 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.100 -63.079 0.021 30.40
|
||||
S(-2) 1.056e-22
|
||||
HS- 6.946e-23 4.891e-23 -22.158 -22.311 -0.152 21.00
|
||||
H2S 3.615e-23 3.791e-23 -22.442 -22.421 0.021 36.27
|
||||
S-2 2.264e-28 6.663e-29 -27.645 -28.176 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -46.141 -46.121 0.021 30.09
|
||||
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
|
||||
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
|
||||
NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0)
|
||||
O(0) 1.238e-14
|
||||
O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.294e-03 1.240e-03 -2.367 -2.907 -0.540 28.43
|
||||
NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72
|
||||
MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92
|
||||
CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50
|
||||
KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03
|
||||
Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65
|
||||
HSO4- 1.434e-08 1.069e-08 -7.843 -7.971 -0.128 40.66
|
||||
CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0)
|
||||
SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43
|
||||
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
|
||||
MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
|
||||
CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
|
||||
KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
|
||||
Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
|
||||
HSO4- 1.451e-08 1.081e-08 -7.838 -7.966 -0.128 40.66
|
||||
CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.209e-05 2.317e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.385e-08 3.854e-08 -7.269 -7.414 -0.145 28.37
|
||||
H2SiO4-2 9.651e-14 2.957e-14 -13.015 -13.529 -0.514 (0)
|
||||
H3SiO4- 5.321e-08 3.808e-08 -7.274 -7.419 -0.145 28.37
|
||||
H2SiO4-2 9.424e-14 2.887e-14 -13.026 -13.540 -0.514 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -659,28 +659,28 @@ Si 2.215e-05
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.34 -8.22 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -22.27 -25.07 -2.80 CH4
|
||||
CH4(g) -120.04 -122.84 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.88 25.32 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.98 -3.45 -1.47 CO2
|
||||
Dolomite -0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Chrysotile -6.91 25.29 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.97 -3.44 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.76 -5.50 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.55 -14.65 -3.10 H2
|
||||
H2(g) -36.00 -39.10 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -21.43 -29.36 -7.94 H2S
|
||||
H2S(g) -119.20 -127.14 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.32 -5.48 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O
|
||||
O2(g) -60.19 -63.08 -2.89 O2
|
||||
O2(g) -11.30 -14.19 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.60 9.16 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.50 9.16 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -15.80 -10.92 4.88 S
|
||||
Sulfur -89.13 -84.25 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -5.34 16.06 21.40 Mg3Si4O10(OH)2
|
||||
Talc -5.36 16.03 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.55 -4.85 -0.30 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
@ -719,14 +719,14 @@ Using pure phase assemblage 2.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.254e-03 3.254e-03
|
||||
Ca 4.397e-03 4.397e-03
|
||||
C 3.221e-03 3.220e-03
|
||||
Ca 4.380e-03 4.380e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -736,122 +736,122 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.434 Charge balance
|
||||
pe = -1.771 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18314
|
||||
pH = 7.433 Charge balance
|
||||
pe = 10.542 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18315
|
||||
Density (g/cm³) = 1.00527
|
||||
Volume (L) = 1.00578
|
||||
Viscosity (mPa s) = 0.91380
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.069e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.119e-03
|
||||
Total CO2 (mol/kg) = 3.254e-03
|
||||
Total alkalinity (eq/kg) = 3.085e-03
|
||||
Total CO2 (mol/kg) = 3.221e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 15
|
||||
Iterations = 3
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554979e+01
|
||||
Total O = 5.554971e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.883e-07 2.734e-07 -6.411 -6.563 -0.152 -3.48
|
||||
H+ 4.622e-08 3.680e-08 -7.335 -7.434 -0.099 0.00
|
||||
OH- 3.874e-07 2.728e-07 -6.412 -6.564 -0.152 -3.48
|
||||
H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 1.937e-25
|
||||
CH4 1.937e-25 2.032e-25 -24.713 -24.692 0.021 35.46
|
||||
C(4) 3.254e-03
|
||||
HCO3- 2.687e-03 1.999e-03 -2.571 -2.699 -0.128 25.15
|
||||
NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73
|
||||
MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72
|
||||
CO2 1.613e-04 1.664e-04 -3.792 -3.779 0.014 34.43
|
||||
CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88
|
||||
MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09
|
||||
CO3-2 8.314e-06 2.548e-06 -5.080 -5.594 -0.514 -2.19
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46
|
||||
C(4) 3.221e-03
|
||||
HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15
|
||||
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
|
||||
MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
|
||||
CO2 1.615e-04 1.666e-04 -3.792 -3.778 0.014 34.43
|
||||
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
|
||||
MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
|
||||
CO3-2 8.287e-06 2.540e-06 -5.082 -5.595 -0.514 -2.19
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03
|
||||
(CO2)2 4.848e-10 5.084e-10 -9.314 -9.294 0.021 68.87
|
||||
Ca 4.397e-03
|
||||
Ca+2 4.082e-03 1.300e-03 -2.389 -2.886 -0.497 -17.20
|
||||
CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50
|
||||
CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88
|
||||
KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
|
||||
(CO2)2 4.860e-10 5.097e-10 -9.313 -9.293 0.021 68.87
|
||||
Ca 4.380e-03
|
||||
Ca+2 4.095e-03 1.304e-03 -2.388 -2.885 -0.497 -17.20
|
||||
CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
|
||||
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 7.820e-09 5.826e-09 -8.107 -8.235 -0.128 (0)
|
||||
CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0)
|
||||
CaOH+ 7.828e-09 5.832e-09 -8.106 -8.234 -0.128 (0)
|
||||
CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46
|
||||
HCl 1.253e-09 1.534e-09 -8.902 -8.814 0.088 (0)
|
||||
H(0) 6.355e-15
|
||||
H2 3.178e-15 3.333e-15 -14.498 -14.477 0.021 28.61
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0)
|
||||
H(0) 1.517e-39
|
||||
H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03
|
||||
KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
|
||||
KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.487e-02 5.063e-03 -1.828 -2.296 -0.468 -20.91
|
||||
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
|
||||
MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72
|
||||
Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64
|
||||
MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09
|
||||
MgOH+ 6.511e-07 4.965e-07 -6.186 -6.304 -0.118 (0)
|
||||
MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
|
||||
Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
|
||||
MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
|
||||
MgOH+ 6.496e-07 4.954e-07 -6.187 -6.305 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73
|
||||
NaOH 2.775e-18 2.910e-18 -17.557 -17.536 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.451 -63.431 0.021 30.40
|
||||
S(-2) 1.721e-22
|
||||
HS- 1.415e-22 9.965e-23 -21.849 -22.002 -0.152 21.00
|
||||
H2S 3.057e-23 3.207e-23 -22.515 -22.494 0.021 36.27
|
||||
S-2 1.111e-27 3.270e-28 -26.954 -27.485 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -46.287 -46.266 0.021 30.09
|
||||
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
|
||||
NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0)
|
||||
O(0) 1.242e-14
|
||||
O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43
|
||||
NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
|
||||
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
|
||||
CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03
|
||||
Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64
|
||||
HSO4- 5.788e-09 4.313e-09 -8.237 -8.365 -0.128 40.66
|
||||
CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0)
|
||||
CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
|
||||
Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
|
||||
HSO4- 5.801e-09 4.322e-09 -8.237 -8.364 -0.128 40.66
|
||||
CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.202e-05 2.309e-05 -4.657 -4.637 0.021 52.08
|
||||
H3SiO4- 1.293e-07 9.252e-08 -6.889 -7.034 -0.145 28.37
|
||||
H2SiO4-2 5.580e-13 1.710e-13 -12.253 -12.767 -0.514 (0)
|
||||
H3SiO4- 1.290e-07 9.232e-08 -6.890 -7.035 -0.145 28.37
|
||||
H2SiO4-2 5.555e-13 1.703e-13 -12.255 -12.769 -0.514 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.53 -5.81 -4.28 CaSO4
|
||||
Anhydrite -1.53 -5.80 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.35 -8.23 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -21.89 -24.69 -2.80 CH4
|
||||
CH4(g) -120.38 -123.18 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.76 28.44 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.31 -3.78 -1.47 CO2
|
||||
Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.38 -14.48 -3.10 H2
|
||||
H2(g) -36.00 -39.10 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -21.50 -29.44 -7.94 H2S
|
||||
H2S(g) -119.99 -127.92 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
|
||||
O2(g) -60.54 -63.43 -2.89 O2
|
||||
O2(g) -11.29 -14.19 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.52 11.24 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.42 11.24 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.53 11.23 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.43 11.23 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -16.05 -11.17 4.88 S
|
||||
Sulfur -89.91 -85.03 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.22 19.18 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.56 -4.86 -0.30 Na2SO4
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
@ -102,7 +102,7 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
C(4) 1.091e-05
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
|
||||
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56
|
||||
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65
|
||||
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
|
||||
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
|
||||
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
|
||||
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
|
||||
@ -113,7 +113,7 @@ C(4) 1.091e-05
|
||||
Ca 9.581e-06
|
||||
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65
|
||||
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
|
||||
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
|
||||
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
|
||||
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
|
||||
@ -253,7 +253,7 @@ C(4) 2.182e-04
|
||||
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
@ -264,7 +264,7 @@ Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
@ -424,7 +424,7 @@ C(4) 2.182e-04
|
||||
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
|
||||
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
@ -435,7 +435,7 @@ Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,8 +1,8 @@
|
||||
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
|
||||
1 react 1 -99 0 1 8.27917 -4.94281 0.0000e+00 1.0000e+01 -3.1435e-08 1.0000e+01 1.0959e-08 9.9995e+00 -4.9333e-04 9.9995e+00 -4.8687e-04 0.0000e+00 0.0000e+00 -6.1255
|
||||
1 react 1 -99 0 2 8.1702 -4.28572 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2681e-04 1.0000e+01 1.4260e-04 0.0000e+00 0.0000e+00 -2.0147
|
||||
1 react 1 -99 0 3 7.97893 -3.96644 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9356e-03 1.0002e+01 2.3967e-03 0.0000e+00 0.0000e+00 -1.0550
|
||||
1 react 1 -99 0 4 7.87949 -3.8118 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5572e-03 1.0005e+01 5.1073e-03 0.0000e+00 0.0000e+00 -0.6415
|
||||
1 react 1 -99 0 5 7.72176 -3.57172 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6173e-02 1.0016e+01 1.5824e-02 0.0000e+00 0.0000e+00 -0.0254
|
||||
1 react 1 -99 0 6 7.70948 -3.55591 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6838e-02 1.0026e+01 2.6492e-02 8.9714e-03 8.9714e-03 0.0000
|
||||
1 react 1 -99 0 1 8.27866 -4.94223 0.0000e+00 1.0000e+01 -3.1401e-08 1.0000e+01 1.0888e-08 9.9995e+00 -4.9102e-04 9.9995e+00 -4.8459e-04 0.0000e+00 0.0000e+00 -6.1251
|
||||
1 react 1 -99 0 2 8.16976 -4.28517 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2415e-04 1.0000e+01 1.4524e-04 0.0000e+00 0.0000e+00 -2.0139
|
||||
1 react 1 -99 0 3 7.97867 -3.96612 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9318e-03 1.0002e+01 2.4006e-03 0.0000e+00 0.0000e+00 -1.0546
|
||||
1 react 1 -99 0 4 7.8793 -3.81158 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5524e-03 1.0005e+01 5.1122e-03 0.0000e+00 0.0000e+00 -0.6412
|
||||
1 react 1 -99 0 5 7.72165 -3.57159 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6165e-02 1.0016e+01 1.5831e-02 0.0000e+00 0.0000e+00 -0.0253
|
||||
1 react 1 -99 0 6 7.70941 -3.55585 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6831e-02 1.0026e+01 2.6499e-02 8.9755e-03 8.9755e-03 0.0000
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@ -1,28 +1,28 @@
|
||||
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
|
||||
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3544 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2454 -0.1973 -3.7279 -8.1825 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1582 -0.0212 -3.6047 -8.0876 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0914 -0.0069 -3.4389 -8.0244 1.1000e+00 5.0197e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6610e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9098 -0.0262 -3.0143 -7.8874 1.1000e+00 2.9373e-03 6.5142e-02 3.3055e-04 2.5198e-03 2.5836e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7177 -0.0600 -2.5772 -7.7536 1.1000e+00 8.3718e-03 1.8563e-01 1.4663e-03 6.6449e-03 2.0143e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5499 -0.1104 -2.1263 -7.6101 1.1000e+00 2.1071e-02 4.6708e-01 5.4326e-03 1.4890e-02 1.4316e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4348 -0.1673 -1.7739 -7.4984 1.1000e+00 5.0847e-02 1.1268e+00 1.7087e-02 3.1521e-02 7.7758e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1309e-01 2.5057e+00 4.3730e-02 6.3498e-02 2.6073e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3427 -0.2370 -1.5130 -7.4286 1.1000e+00 2.4478e-01 5.4231e+00 1.0169e-01 1.2922e-01 6.8255e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1308e+01 2.1949e-01 2.6076e-01 1.5502e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5605e-01 5.2387e-01 3.2966e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4110e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7072e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7259e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1518e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6909e-02 6.5530e-02 4.1820e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2919e-02 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3544 -0.4983 -3.9846 -8.3828 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2454 -0.1973 -3.7319 -8.1845 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1582 -0.0212 -3.6085 -8.0895 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0914 -0.0069 -3.4425 -8.0262 1.1000e+00 5.0196e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6474e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9098 -0.0262 -3.0171 -7.8889 1.1000e+00 2.9372e-03 6.5141e-02 3.3055e-04 2.5198e-03 2.5666e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7177 -0.0600 -2.5789 -7.7545 1.1000e+00 8.3716e-03 1.8562e-01 1.4663e-03 6.6448e-03 2.0062e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5499 -0.1104 -2.1267 -7.6103 1.1000e+00 2.1071e-02 4.6708e-01 5.4325e-03 1.4890e-02 1.4303e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4348 -0.1673 -1.7737 -7.4983 1.1000e+00 5.0849e-02 1.1269e+00 1.7088e-02 3.1521e-02 7.7795e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3738 -0.2103 -1.5954 -7.4481 1.1000e+00 1.1309e-01 2.5058e+00 4.3732e-02 6.3499e-02 2.6085e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3427 -0.2370 -1.5129 -7.4285 1.1000e+00 2.4478e-01 5.4232e+00 1.0169e-01 1.2922e-01 6.8273e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1309e+01 2.1950e-01 2.6076e-01 1.5504e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5606e-01 5.2388e-01 3.2968e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2574 -4.4529 -9.5994 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3415e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9563 -4.1504 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7058e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1856 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0076e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6552 -3.8481 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3450e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3542 -3.5462 -8.8236 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1953e-03 2.6955e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0531 -3.2448 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3964e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3283 -1.7522 -2.9440 -8.3426 9.7258e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0786e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2055 -1.4513 -2.6442 -8.1259 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1514e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0385 -1.1608 -2.3557 -7.9353 1.9656e-01 1.8647e-01 2.3190e+01 8.6908e-02 6.5529e-02 4.1813e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8204 -0.8602 -2.0578 -7.7555 3.2978e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3061e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5885 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4289 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2922e-02 0.0000e+00
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
@ -13,7 +13,7 @@ Reading data base.
|
||||
EXCHANGE_SPECIES
|
||||
SURFACE_MASTER_SPECIES
|
||||
SURFACE_SPECIES
|
||||
CALCULATE_VALUES
|
||||
MEAN_GAMMAS
|
||||
RATES
|
||||
END
|
||||
------------------------------------
|
||||
|
||||
Loading…
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Reference in New Issue
Block a user